SCHEMBL2390984

SCHEMBL2390984

CCOC(=O)c1cc(OC)c2cc(Br)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.46
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
ELANE P08246 2/20 0.43
PTPN11 Q06124 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL15774677 0.89 HSD17B2 (0.52) HSD17B2SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL2390084 0.87 ALDH1A1 (0.46) HSD17B2SMN1; SMN2ALDH1A1MAPTATM
SCHEMBL2390195 0.83 PTPN11 (0.54) HSD17B2SMN1; SMN2ALDH1A1MAPTATM
SCHEMBL18031420 0.83 HSD17B2 (0.51) HSD17B2SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL1501701 0.82 ELANE (0.45) SMN1; SMN2ALDH1A1MAPTATMELANE
SCHEMBL27619794 0.81 CA12 (0.50) SMN1; SMN2ALDH1A1POLBRXFP1LMNA
SCHEMBL18031419 0.81 HSD17B2 (0.49) HSD17B2SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL13057678 0.78 ALDH1A1 (0.45) HSD17B2SMN1; SMN2ALDH1A1MAPTATM
SCHEMBL4079402 0.78 CA12 (0.56) HSD17B2SMN1; SMN2ALDH1A1MAPTATM
SCHEMBL25409586 0.78 HSD17B2 (0.55) HSD17B2SMN1; SMN2ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244460-A1 ANTIVIRAL COMPOUNDS Janssen Pharmaceuticals, Inc. 2016-08-25 US disclosed
US-20160244460-A1 ANTIVIRAL COMPOUNDS Janssen Pharmaceuticals, Inc. 2016-08-25 US disclosed
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed
US-7053071-B2 For therapy of leukemia or other forms of cancer or for treating disease conditions caused by apoptosis of cells THE BURNHAM INSTITUTE (US) 2006-05-30 US disclosed
EP-1456165-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS The Burnham Institute (US) 2004-09-15 EP disclosed
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 US disclosed
WO-2003048101-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS THE BURNHAM INSTITUTE (US) 2003-06-12 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 (2 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-20160244460-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 HSD17B2 4380/4885SMN1; SMN2 1041/4885ALDH1A1 4011/4885
US-20030176506-A1 Induction of apoptosis in cancer cells MCL1, BAD, BCL2 HSD17B2 3980/4885SMN1; SMN2 3860/4885ALDH1A1 1651/4885

“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.