SCHEMBL1613567

SCHEMBL1613567

Nc1cc(I)ccc1CN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP2A13 Q16696 6/20 0.50
HIF1A Q16665 4/20 0.44
EPAS1 Q99814 4/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NCF1 P14598 1/20 0.43
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MDM2 Q00987 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL6340603 0.83 CYP2C9 (0.56) CYP2C9ALOX15HSD17B10CYP2A13ALDH1A1
Hydrochloric Acid SCHEMBL6340504 0.82 CYP2C9 (0.54) CYP2C9ALOX15HSD17B10CYP2A13ALDH1A1
SCHEMBL9424160 0.81 CYP2A13 (0.71) CYP2C9ALOX15HSD17B10CYP2A13HIF1A
SCHEMBL13957652 0.81 CYP2C9 (0.53) CYP2C9ALOX15HSD17B10CYP2A13ALDH1A1
SCHEMBL19175045 0.81 HSD17B10 (0.53) CYP2C9ALOX15HSD17B10CYP2A13ALDH1A1
SCHEMBL15546497 0.81 CYP2A13 (0.61) CYP2C9ALOX15HSD17B10CYP2A13HIF1A
SCHEMBL2338990 0.80 CYP2A13 (0.64) CYP2C9ALOX15HSD17B10CYP2A13ALDH1A1
SCHEMBL21765349 0.79 HSD17B10 (0.51) CYP2C9ALOX15HSD17B10CYP2A13HIF1A
Hydrochloric Acid SCHEMBL9423982 0.78 CYP2A13 (0.62) CYP2C9ALOX15HSD17B10CYP2A13ALDH1A1
SCHEMBL1438683 0.77 CYP2A13 (0.66) CYP2C9ALOX15HSD17B10CYP2A13HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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 (1 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 CYP2C9 3576/4885ALOX15 512/4885HSD17B10 1123/4885

“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.