SCHEMBL3769865

SCHEMBL3769865

CCCN(C)C(=O)c1cc(C(=O)O)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.53
LTB4R2 Q9NPC1 8/20 0.53
FOLH1 Q04609 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.46
MCL1 Q07820 2/20 0.46
ALOX5 P09917 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGER1 P34995 1/20 0.43
APP P05067 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL3239000 0.93 LTB4R (0.51) LTB4RLTB4R2FOLH1TRPM8MCL1
SCHEMBL3768292 0.90 FOLH1 (0.51) LTB4RLTB4R2FOLH1MCL1ALOX5
SCHEMBL3764722 0.87 HPGD (0.55) LTB4RLTB4R2FOLH1MCL1ALDH1A1
SCHEMBL6969974 0.83 LTB4R (0.47) LTB4RLTB4R2TRPM8MCL1ALOX5
SCHEMBL3766462 0.82 LTB4R (0.46) LTB4RLTB4R2TRPM8KDM4EALDH1A1
SCHEMBL6968160 0.79 TSHR (0.48) LTB4RLTB4R2FOLH1MCL1ALDH1A1
SCHEMBL27788715 0.79 LTB4R (0.57) LTB4RLTB4R2FOLH1TRPM8POLB
SCHEMBL646469 0.79 FOLH1 (0.45) LTB4RLTB4R2FOLH1TRPM8MCL1
SCHEMBL19326705 0.78 MAOB (0.60) FOLH1MCL1KDM4EALDH1A1POLB
SCHEMBL24983867 0.78 FOLH1 (0.65) FOLH1MCL1KDM4EALDH1A1POLB

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
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 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-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES HSP90AB1, HSP90AA1, HSP90AB2P LTB4R 3784/4885LTB4R2 3539/4885FOLH1 4204/4885

“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.