SCHEMBL9918852

SCHEMBL9918852

CCCC(CCO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.37
METAP1 P53582 1/20 0.34
ALDH1A1 P00352 2/20 0.32
OPRM1 P35372 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALOX15 P16050 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15469686 1.00 TSHR (0.43) TSHRLMNAMETAP1ALDH1A1OPRM1
SCHEMBL1307930 0.88 TSHR (0.35) TSHRALDH1A1TDP1ALOX15
SCHEMBL19511846 0.85 TSHR (0.43) TSHRLMNAMETAP1ALDH1A1CHRM1
SCHEMBL599955 0.85 TSHR (0.40) TSHRLMNAMETAP1OPRM1CHRM1
SCHEMBL727213 0.84 ALDH1A1 (0.41) TSHRLMNAALDH1A1OPRM1SMN1; SMN2
SCHEMBL980782 0.84 ALDH1A1 (0.41) TSHRLMNAMETAP1ALDH1A1CHRM1
SCHEMBL15469680 0.84 ALDH1A1 (0.41) TSHRLMNAALDH1A1OPRM1SMN1; SMN2
SCHEMBL18124681 0.84 ALDH1A1 (0.41) TSHRLMNAALDH1A1OPRM1SMN1; SMN2
SCHEMBL17715618 0.81 TSHR (0.42) TSHRLMNAMETAP1ALDH1A1TDP1
SCHEMBL23115448 0.80 LMNA (0.48) TSHRLMNAALDH1A1OPRM1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688838-B1 Diisononyl terephthalate plasticizer and its use as well as process for producing the same NAN YA PLASTICS CORPORATION (TW) 2017-06-27 US claimed
EP-3027760-A1 PROCESS FOR THE BIOCONVERSION OF C3-C13 ALKANES TO C3-C 13 PRIMARY ALCOHOLS BASF SE (DE) 2016-06-08 EP claimed
WO-2015014644-A1 PROCESS FOR THE BIOCONVERSION OF C3-C13 ALKANES TO C3-C 13 PRIMARY ALCOHOLS BASF SE (DE) 2015-02-05 WO claimed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 US disclosed
US-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 US disclosed
US-20230127326-A1 C3-SUBSTITUTED 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 US disclosed
US-10420767-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-09-24 US disclosed
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 US disclosed
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 US disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 US disclosed
US-9416114-B2 1,2,4-triazine derivatives for the treatment of viral infections CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-08-16 US disclosed
US-9416114-B2 1,2,4-triazine derivatives for the treatment of viral infections CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-08-16 US disclosed
US-20160016966-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-21 US disclosed
US-20150336907-A1 1,2,4-TRIAZINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS UNIVERSITE DE ROUEN (FR) 2015-11-26 US disclosed
US-20150336907-A1 1,2,4-TRIAZINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS UNIVERSITE DE ROUEN (FR) 2015-11-26 US disclosed
US-9085582-B2 Benzotriazolodiazepine compounds inhibitors of bromodomains GLAXOSMITHKLINE LLC (US) 2015-07-21 US disclosed
US-20140140955-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2014-05-22 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230127326-A1 C3-SUBSTITUTED 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR3, TLR9 TSHR 866/4885LMNA 3326/4885METAP1 2095/4885
US-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR TLR7, TLR1, TLR9 TSHR 2021/4885LMNA 3881/4885METAP1 1669/4885
US-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 TSHR 4783/4885LMNA 2444/4885METAP1 477/4885
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 TSHR 3940/4885LMNA 3513/4885METAP1 3574/4885
US-20150336907-A1 1,2,4-TRIAZINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS MAVS, IL5, ZC3HAV1 TSHR 2857/4885LMNA 3735/4885METAP1 1243/4885
US-10420767-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 TSHR 4335/4885LMNA 3150/4885METAP1 1887/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TSHR 2900/4885LMNA 4684/4885METAP1 3041/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TSHR 2606/4885LMNA 4638/4885METAP1 3469/4885
US-20160016966-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS BRD3, BRD4, BRPF3 TSHR 3116/4885LMNA 3291/4885METAP1 1541/4885
US-20140140955-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS PNP, UMPS, UPP1 TSHR 3467/4885LMNA 2578/4885METAP1 916/4885
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 TSHR 1285/4885LMNA 3915/4885METAP1 2862/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 TSHR 4335/4885LMNA 3150/4885METAP1 1887/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.