SCHEMBL3944949

SCHEMBL3944949

[O]CCNc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.69
CA14 Q9ULX7 3/20 0.69
CA4 P22748 2/20 0.69
CA7 P43166 2/20 0.69
CA9 Q16790 2/20 0.69
CA3 P07451 1/20 0.69
CA6 P23280 1/20 0.69
CA5A P35218 1/20 0.69
CA5B Q9Y2D0 1/20 0.69
ALDH1A1 P00352 6/20 0.67
TSHR P16473 3/20 0.67
HSD17B10 Q99714 3/20 0.67
RECQL P46063 2/20 0.67
KDM4E B2RXH2 7/20 0.62
MAPT P10636 5/20 0.62
HPGD P15428 5/20 0.62
GAA P10253 2/20 0.62
KEAP1 Q14145 1/20 0.53
BCHE P06276 1/20 0.53
MEN1 O00255 2/20 0.49

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
SCHEMBL11283741 0.89 CA12 (0.77) CA12CA14CA4CA7CA9
Hydrochloric Acid SCHEMBL4443499 0.87 ALDH1A1 (0.78) CA12CA14CA4CA7CA9
SCHEMBL10454908 0.85 ALDH1A1 (0.76) CA12CA14CA4CA7CA9
SCHEMBL1926256 0.82 ALDH1A1 (0.67) CA12CA14CA4CA7CA9
SCHEMBL16687465 0.82 CA12 (0.67) CA12CA14CA4CA7CA9
SCHEMBL959196 0.82 CA12 (0.67) CA12CA14CA4CA7CA9
SCHEMBL233681 0.82 CA12 (1.00) CA12CA14CA4CA7CA9
Hydrochloric Acid SCHEMBL9850536 0.82 ALDH1A1 (0.70) CA12CA14CA4CA7CA9
SCHEMBL6753421 0.82 ALDH1A1 (0.77) CA12CA14CA4CA7CA9
SCHEMBL31268310 0.82 CA12 (0.67) CA12CA14CA4CA7CA9

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
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO claimed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US claimed
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 US disclosed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 CA12 4812/4885CA14 4842/4885CA4 4322/4885
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 CA12 4555/4885CA14 4254/4885CA4 4013/4885

“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.