SCHEMBL3947548

SCHEMBL3947548

COC(C(N)=O)(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
CES1 P23141 1/20 0.47
KCNN4 O15554 7/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
HTT P42858 1/20 0.41
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL5130509 0.90 KCNN4 (0.52) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL10878702 0.82 MAPT (0.47) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL5257950 0.79 KCNN4 (0.47) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL30010927 0.79 CES1 (0.43) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL3905516 0.78 MAPT (0.55) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL1454439 0.78 CES1 (0.63) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL10878706 0.77 MAPT (0.50) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL4554194 0.76 MAPT (0.59) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL5560839 0.74 MAPT (0.47) MAPTKMT2ACES1KCNN4CYP1A2
SCHEMBL617934 0.73 MAPT (0.55) MAPTKMT2ACES1KCNN4CYP1A2

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
US-7514425-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2009-04-07 US claimed
US-20060116424-A1 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2006-06-01 US claimed
EP-0335046-B1 Method for producing 2,4-dihydroxyquinoline derivatives MITSUBISHI CHEM IND (JP) 1993-12-01 EP disclosed
US-4904787-A CYCLIZATION USING POLYPHOSPHORIC ACID; NONHYDROLIZING, ONE STEP MITSUBISHI KASEI CORPORATION (JP) 1990-02-27 US disclosed
EP-0335046-A1 Method for producing 2,4-dihydroxyquinoline derivatives MITSUBISHI KASEI CORPORATION (JP) 1989-10-04 EP 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-20060116424-A1 Short-acting sedative hypnotic agents for anesthesia and sedation GABRA5, GABRA6, GABRA2 MAPT 2821/4885KMT2A 378/4885CES1 1614/4885

“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.