SCHEMBL3330849

SCHEMBL3330849

N=C1CC=CC=C1C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRD5A2 P31213 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 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
SCHEMBL59663 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL7478487 0.79 ALDH1A1 (0.43) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL9619936 0.77
SCHEMBL3475820 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL10945743 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL6903428 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1ATMTDP1SRD5A2
Benzophenone SCHEMBL9310484 0.71 ALDH1A1 (0.52) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL6242759 0.69 HDAC2 (0.31)
SCHEMBL9848793 0.69 CES2 (0.48) ALDH1A1ATMMAPTRAB9ACES2
SCHEMBL19865171 0.68 ALDH1A1 (0.46) ALDH1A1L3MBTL1ATMTDP1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110446698-B Microbicidal quinoline (thio) carboxamide derivatives 先正达参股股份有限公司 2023-03-28 CN disclosed
US-20100144729-A1 COUMARIN DERIVATIVES NOVARTIS AG (CH) 2010-06-10 US disclosed
EP-2109606-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST Novartis Ag (CH) 2009-10-21 EP disclosed
WO-2008092930-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST NOVARTIS AG (CH) 2008-08-07 WO disclosed
EP-0234570-B1 PHOTOPOLYMERIZABLE COMPOSITION, PHOTOSENSITIVE ELEMENT WITH THAT COMPOSITION, AND PROCESS FOR THE PRODUCTION OF A LITHOGRAPHIC PRINTING PLATE USING THIS ELEMENT BASF Aktiengesellschaft (DE) 1992-04-22 EP disclosed
US-4935330-A Photopolymerizable mixture, photosensitive recording element containing this mixture, and the production of lithographic printing plate using this photosensitive recording element BASF AKTIENGESELLSCHAFT (DE) 1990-06-19 US disclosed
EP-0234570-A2 Photopolymerizable composition, photosensitive element with that composition, and process for the production of a lithographic printing plate using this element BASF Aktiengesellschaft (DE) 1987-09-02 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-20100144729-A1 COUMARIN DERIVATIVES F3, CYP3A7, CYP3A4 ALDH1A1 60/4885L3MBTL1 1716/4885ATM 1886/4885

“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.