SCHEMBL5652930

SCHEMBL5652930

CCNCCc1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.59
GAA P10253 1/20 0.58
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ATM Q13315 1/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MAPT P10636 1/20 0.54
CA5A P35218 1/20 0.54
CA14 Q9ULX7 1/20 0.54
GLA P06280 1/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CA4 P22748 1/20 0.54
BCHE P06276 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL6835324 0.89 CHRM2 (0.56) SMN1; SMN2HTTTAAR1
SCHEMBL6469311 0.86 SMN1; SMN2 (0.57) SMN1; SMN2HTTGAAKMT2AMEN1
Hydrochloric Acid SCHEMBL9740760 0.85 SMN1; SMN2 (0.56) SMN1; SMN2HTTGAAKMT2AMEN1
Hydrochloric Acid SCHEMBL11280297 0.83 RAD52 (0.56) SMN1; SMN2HTTGAAMAPTKDM4E
SCHEMBL4614753 0.82 MEN1 (0.71) SMN1; SMN2HTTGAAKMT2AMEN1
SCHEMBL8880193 0.81 SMN1; SMN2 (0.57) SMN1; SMN2HTTGAAKMT2AMEN1
SCHEMBL9973180 0.81 MAPT (0.70) SMN1; SMN2HTTGAAKMT2AMEN1
SCHEMBL4290489 0.81 TAAR1 (0.66) SMN1; SMN2HTTGAAKMT2AMEN1
SCHEMBL91277 0.81 TAAR1 (0.64) CA12CA1CA2CA9CA14
1,4-Dimethoxybenzene SCHEMBL10989906 0.80 CA1 (0.61) GAACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130109019-A1 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. 2013-05-02 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 WO disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
WO-2005077372-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-25 WO 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-20130109019-A1 HAPTEN CONJUGATES FOR TARGET DETECTION TYR, TH, TYRO3 SMN1; SMN2 4698/4885HTT 1486/4885GAA 1476/4885
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN SMN1; SMN2 4689/4885HTT 4193/4885GAA 4578/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 SMN1; SMN2 4476/4885HTT 3160/4885GAA 3287/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 SMN1; SMN2 4174/4885HTT 3839/4885GAA 799/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 SMN1; SMN2 3120/4885HTT 868/4885GAA 551/4885

“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.