SCHEMBL12464829

SCHEMBL12464829

CCC(CC)c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL2992960 0.87 ALOX5 (0.39) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL13848615 0.87 CHRNB2 (0.36) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL22995905 0.87 ALOX5 (0.39) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL9880967 0.86 ALOX5 (0.38) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL14516277 0.84 NR1I2 (0.41) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL941963 0.82 NR1I2 (0.46) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL12462086 0.82 ALOX5 (0.36) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL20963155 0.82 ALOX5 (0.36) ALOX5IDO1TDO2CHRNB2CHRNB4
SCHEMBL29110953 0.81 ALOX5 (0.41) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7874405 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160008339-A1 PSORALEN DERIVATIVES FOR PREVENTING OR TREATING HEART FAILURE OR CARDIAC HYPERTROPHY MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2016-01-14 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
EP-1549624-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2009-05-13 EP 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 (3 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-20160008339-A1 PSORALEN DERIVATIVES FOR PREVENTING OR TREATING HEART FAILURE OR CARDIAC HYPERTROPHY PAH, P4HA1, NPR3 ALOX5 296/4885IDO1 2275/4885TDO2 2188/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF ALOX5 2968/4885IDO1 3314/4885TDO2 4581/4885
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS FAAH, FAAH2, FADS1 ALOX5 60/4885IDO1 423/4885TDO2 1524/4885

“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.