SCHEMBL15469680

SCHEMBL15469680

CCCC[C@@H](CCO)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.39
LMNA P02545 4/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.35
DNM1 Q05193 2/20 0.35
FDPS P14324 1/20 0.34
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL727213 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL18124681 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL23115448 0.91 LMNA (0.48) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL728814 0.91 LMNA (0.48) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL4576295 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL4656057 0.87 DNM1 (0.43) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL15469686 0.84 TSHR (0.43) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL9918852 0.84 TSHR (0.43) ALDH1A1SMN1; SMN2OPRM1LMNATSHR
SCHEMBL1307930 0.84 TSHR (0.35) ALDH1A1TSHR
SCHEMBL15469684 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2OPRM1LMNATSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-26 US disclosed
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-24 US disclosed
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-24 US disclosed
US-9422250-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-08-23 US disclosed
US-9422250-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-08-23 US disclosed
US-9365571-B2 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-06-14 US disclosed
US-9365571-B2 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-06-14 US disclosed
US-20150336955-A1 PIPERIDINO-PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2015-11-26 US disclosed
US-20150336955-A1 PIPERIDINO-PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2015-11-26 US disclosed
US-9133192-B2 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IL) 2015-09-15 US disclosed
US-9133192-B2 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IL) 2015-09-15 US disclosed
US-8916575-B2 Quinazoline derivatives for the treatment of viral infections and further diseases JANSSEN R&D IRELAND (IE) 2014-12-23 US disclosed
US-8916575-B2 Quinazoline derivatives for the treatment of viral infections and further diseases JANSSEN R&D IRELAND (IE) 2014-12-23 US disclosed
US-20140350031-A1 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2014-11-27 US disclosed
US-20140350031-A1 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2014-11-27 US disclosed
US-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2014-03-13 US disclosed
US-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN R&D IRELAND (IE) 2014-03-13 US disclosed
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2014-02-13 US disclosed
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2014-02-13 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 (6 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-20140073642-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES TLR3, TLR5, TLR4 ALDH1A1 4174/4885SMN1; SMN2 2528/4885OPRM1 1713/4885
US-20140350031-A1 Piperidino-pyrimidine derivatives for the treatment of viral infections DPYD, TYMP, UMPS ALDH1A1 3632/4885SMN1; SMN2 1548/4885OPRM1 2820/4885
US-20140045849-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 ALDH1A1 1826/4885SMN1; SMN2 3359/4885OPRM1 4002/4885
US-20150336955-A1 PIPERIDINO-PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, TYMS, UMPS ALDH1A1 1804/4885SMN1; SMN2 1605/4885OPRM1 3464/4885
US-20180207155-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 ALDH1A1 1826/4885SMN1; SMN2 3359/4885OPRM1 4002/4885
US-20170239245-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 ALDH1A1 1826/4885SMN1; SMN2 3359/4885OPRM1 4002/4885

“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.