SCHEMBL4837680

SCHEMBL4837680

COC(=O)CCCc1ccccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
CNR2 P34972 2/20 0.45
FFAR1 O14842 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7094632 0.95 TSHR (0.52) TSHRALDH1A1HPGDCNR2FFAR1
SCHEMBL12255638 0.91 TSHR (0.56) TSHRALDH1A1HPGDCNR2FFAR1
SCHEMBL15266535 0.83 TSHR (0.49) TSHRALDH1A1HPGDCNR2FFAR1
SCHEMBL1558841 0.81 ALDH1A1 (0.51) TSHRALDH1A1HPGDFFAR1GAA
SCHEMBL29045424 0.81 FFAR1 (0.46) TSHRALDH1A1FFAR1GAAMAPT
SCHEMBL7906876 0.81 FFAR1 (0.56) ALDH1A1FFAR1MAPT
SCHEMBL18801996 0.79 CYP4F2 (0.54) TSHRALDH1A1HPGDMAPTCYP4F2
SCHEMBL7254900 0.78 MAPT (0.46) TSHRALDH1A1HPGDFFAR1GAA
SCHEMBL6002358 0.78 TSHR (0.44) TSHRALDH1A1HPGDCNR2FFAR1
SCHEMBL8935206 0.78 CYP4F2 (0.49) TSHRALDH1A1HPGDMAPTCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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 (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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 TSHR 681/4885ALDH1A1 1819/4885HPGD 3316/4885

“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.