SCHEMBL638306

SCHEMBL638306

NC(C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 1/20 0.54
KCNN4 O15554 4/20 0.50
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
PARP1 P09874 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 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
Hydrochloric Acid SCHEMBL27908053 0.97 CYP1A2 (0.52) CYP1A2CYP2D6KCNN4MAPTKMT2A
SCHEMBL28024028 0.97 CYP1A2 (0.52) CYP1A2CYP2D6KCNN4MAPTKMT2A
SCHEMBL28012260 0.87 ALDH1A1 (0.56) CYP1A2CYP2D6KCNN4MAPTKMT2A
SCHEMBL4540929 0.87 KIF11 (0.47) CYP1A2CYP2D6KCNN4MAPTKMT2A
SCHEMBL2482093 0.87 KIF11 (0.49) CYP1A2CYP2D6MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27841052 0.85 ALDH1A1 (0.54) CYP1A2CYP2D6KCNN4MAPTKMT2A
SCHEMBL21219824 0.82 SMN1; SMN2 (0.56) CYP1A2CYP2D6HIF1ASMN1; SMN2CYP2C19
SCHEMBL4239216 0.82 CA1 (0.45) CYP1A2CYP2D6KCNN4MAPTKMT2A
SCHEMBL8169066 0.82 MAPT (0.58) CYP1A2CYP2D6KCNN4MAPTKMT2A
Hydrochloric Acid SCHEMBL27841048 0.81 KCNN4 (0.58) CYP1A2CYP2D6KCNN4KMT2ACYP2C19

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 313 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718281-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-09 EP claimed
US-20030198598-A1 Polypeptide derivatives ALBERT RAINER (CH) 2003-10-23 US claimed
EP-0927168-B1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-11-06 EP claimed
EP-0927161-B1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-10-16 EP claimed
EP-0688315-B1 PYRROLIDINE AND OXAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THROMBOCYTE AGGREGATION HOECHST AG (DE) 1999-05-06 EP claimed
EP-0887374-A1 Synthetic polyolefinic resin composition containing a clarifying nucleating agent ELF ATOCHEM S.A. (FR) 1998-12-30 EP claimed
EP-0436005-B1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1995-03-29 EP claimed
US-5399570-A Aspartic acid derivatives, and their use for inhibiting platelete aggregation CASSELLA AKTIENGESELLSCHAFT (DE) 1995-03-21 US claimed
EP-0182262-B1 NONA AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-01-20 EP claimed
US-5116817-A LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1992-05-26 US claimed
EP-0436005-A1 LABELED POLYPEPTIDE DERIVATIVES. SANDOZ LTD (CH) 1991-07-10 EP claimed
WO-1991001144-A1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1991-02-07 WO claimed
WO-1989009786-A1 PEPTIDE DERIVATIVES SANDOZ AG (CH) 1989-10-19 WO claimed
EP-0097031-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1988-09-21 EP claimed
US-4690916-A ANTIFERTILITY AGENTS; HALO-SUBSTITUTED GUANADINO AMINO ACYL RESIDUE COMPONENT SYNTEX (U.S.A.) INC. (US) 1987-09-01 US claimed
EP-0111841-B1 LHRH PREPARATIONS FOR INTRANASAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1987-05-06 EP claimed
EP-0182262-A2 Nona and decapeptide analogs of LHRH useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1986-05-28 EP claimed
EP-0111841-A1 LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1984-06-27 EP claimed
EP-0097031-A2 Nonapeptide and decapeptide analogs of LHRH useful as LHRH antagonists, their preparation and compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-12-28 EP claimed
US-4160818-A Fluorimetric immunoassay for diphenylhydantoin TECHNICON INSTRUMENTS CORPORATION (US) 1979-07-10 US claimed

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-20030198598-A1 Polypeptide derivatives HDGF, IGFBP1, VIP CYP1A2 4869/4885CYP2D6 4828/4885KCNN4 4412/4885

“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.