SCHEMBL9113389

SCHEMBL9113389

[CH2]CCC[CH]CCCCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
ALDH1A1 P00352 2/20 0.39
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
THRB P10828 1/20 0.37
DNM1 Q05193 3/20 0.35
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
EP300 Q09472 1/20 0.33

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
SCHEMBL29255540 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB
SCHEMBL29255606 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB
SCHEMBL29255602 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB
SCHEMBL3936494 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB
SCHEMBL29255637 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB
SCHEMBL29255561 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB
SCHEMBL29255529 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB
SCHEMBL29255532 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB
SCHEMBL9801859 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB
SCHEMBL10585572 0.97 TSHR (0.52) TSHRALDH1A1FAAHTRPV1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995011899-A1 PYRIMIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-05-04 WO claimed
US-20240191009-A1 POLYFUNCTIONALIZED HIGH-CIS 1,4-POLYBUTADIENE AND METHOD FOR MANUFACTURING THE SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2024-06-13 US disclosed
CN-114350154-B Bioelectrode composition, bioelectrode, method for producing bioelectrode, polymer compound, and complex 信越化学工业株式会社 2023-08-22 CN disclosed
US-20220127403-A1 RUBBER POLYMER, METHOD FOR PREPARING THEREOF, AND RUBBER COMPOSITION COMPRISING THE SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2022-04-28 US disclosed
WO-2020203882-A1 POLYMERIC BINDER AND ALL-SOLID-STATE SECONDARY BATTERY 帝人株式会社 2020-10-08 WO disclosed
WO-2020203881-A1 POLYMERIC BINDER AND ALL-SOLID-STATE SECONDARY BATTERY INCLUDING SAME 帝人株式会社 2020-10-08 WO disclosed
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
US-10118927-B2 Substituted piperidin-4-amino-type compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-11-06 US disclosed
US-9951038-B2 Quinazolin-4(3H)-one-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-04-24 US disclosed
CN-107849024-A With as indoleamine 2, the benzimidazole and imidazopyridine imido of 3 dioxygenase inhibitor activities are for benzamide compound 吉利德科学公司 2018-03-27 CN disclosed
WO-2014102590-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-07-03 WO disclosed
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-05-08 US disclosed
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-02-13 US disclosed
WO-2014020405-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2014-02-06 WO disclosed
WO-2013080036-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-06-06 WO disclosed
WO-1995011899-A1 PYRIMIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-05-04 WO disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed
US-3996193-A POLYALKYLENEPOLYAMINES, DIOLEFIN RUBBER THE DOW CHEMICAL COMPANY (US) 1976-12-07 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 (5 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-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A TSHR 3812/4885ALDH1A1 309/4885FAAH 2139/4885
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 TSHR 4159/4885ALDH1A1 1232/4885FAAH 1129/4885
US-10118927-B2 Substituted piperidin-4-amino-type compounds and uses thereof OPRD1, OPRL1, P2RX4 TSHR 4445/4885ALDH1A1 460/4885FAAH 450/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 TSHR 2844/4885ALDH1A1 2546/4885FAAH 3678/4885
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QSOX1, OPRK1, OPRD1 TSHR 2999/4885ALDH1A1 221/4885FAAH 1145/4885

“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.