SCHEMBL674752

SCHEMBL674752

CCOCn1c2ccccc2c2ccc(Cl)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.49
TSHR P16473 6/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
USP2 O75604 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
HCRTR1 O43613 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL24609501 0.84 NPC1 (0.48) PTGER4TSHRALDH1A1L3MBTL1HSD17B10
SCHEMBL676181 0.78 GRM5 (0.42) PTGER4TSHRALDH1A1L3MBTL1HSD17B10
SCHEMBL676791 0.76 PTGER4 (0.49) PTGER4TSHRALDH1A1L3MBTL1HSD17B10
SCHEMBL676186 0.74 POLB (0.41) TSHRALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL675524 0.73 UTS2R (0.37) PTGER4TSHRALDH1A1L3MBTL1HSD17B10
SCHEMBL675907 0.73 GRM5 (0.39) TSHRALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL679189 0.72 GPR3 (0.52) PTGER4ALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL676145 0.71 CYP1A2 (0.41) TSHRALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL13553021 0.71 MEN1 (0.49) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL18546821 0.70 KDM4E (0.55) PTGER4L3MBTL1KDM4EATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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 (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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 PTGER4 3364/4885TSHR 3483/4885ALDH1A1 749/4885

“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.