SCHEMBL5532405

SCHEMBL5532405

Cc1ccc(C(=O)O)c(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
NTRK1 P04629 2/20 0.47
TSHR P16473 1/20 0.46
PDE10A Q9Y233 1/20 0.46
DHODH Q02127 1/20 0.44
LDHA P00338 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43

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
SCHEMBL9355817 0.86 GABRP (0.48) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL29002505 0.86 KDM4E (0.53) ALDH1A1NTRK1DHODHLMNAMAPT
SCHEMBL4917844 0.86 NTRK1 (0.45) ALDH1A1NTRK1TSHRPDE10ADHODH
SCHEMBL5099569 0.82 PIN1 (0.50) DHODHKMT2A
SCHEMBL4917847 0.81 NTRK1 (0.43) ALDH1A1NTRK1TSHRPDE10ALMNA
SCHEMBL400608 0.80 NTRK1 (0.52) ALDH1A1NTRK1DHODHKDM4EHSD17B10
SCHEMBL8946524 0.79 ALDH1A1 (0.66) ALDH1A1PDE10ADHODHLDHALMNA
SCHEMBL402418 0.79 TDP1 (0.46) ALDH1A1TSHRDHODHLMNAMAPT
SCHEMBL8946514 0.78 KMT2A (0.54) ALDH1A1DHODHLMNAKDM4EKMT2A
SCHEMBL28149747 0.78 GABRP (0.55) ALDH1A1PDE10ADHODHLMNASMN1; SMN2

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-1855670-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 WO disclosed
US-7067535-B2 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKU CO., LTD. (JP) 2006-06-27 US disclosed
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKI CO., LTD. (JP) 2004-05-20 US disclosed
EP-1323713-A1 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS TANABE SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
US-4871859-A REACTING KETOESTER WITH UNSATURATED ALDEHYDE OR KETONE AND AMMONIUM SALT IN SOLVENT AND DEHYDROGENATION CATALYST HOECHST CELANESE CORPORATION 1989-10-03 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-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B ALDH1A1 136/4885NTRK1 1420/4885TSHR 866/4885

“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.