SCHEMBL3249045

SCHEMBL3249045

Cc1ccc2ccccc2c1[C]=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.54
TSHR P16473 5/20 0.54
CYP2A6 P11509 5/20 0.54
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 4/20 0.41
HPRT1 P00492 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 3/20 0.39
HIF1A Q16665 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
PAX8 Q06710 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3441131 0.81 ALDH1A1 (0.46) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL5251870 0.79 CYP1A2 (0.54) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL2202057 0.79 CYP2A6 (0.54) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL11508026 0.76 ATM (0.41) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL15467482 0.76 ERN1 (0.43) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL3245559 0.76 CA1 (0.52) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL3244528 0.75 PTPN22 (0.54) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL9819737 0.75 ALDH1A1 (0.44) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL3251732 0.75 ALDH1A1 (0.44) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL3251090 0.75 CYP2A6 (0.54) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
EP-0809630-A1 INDOLE DERIVATIVES WITH AFFINITY FOR THE CANNABINOID RECEPTOR MERCK FROSST CANADA, INC. (CA) 1997-12-03 EP claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES PASCAL BIOSCIENCES INC (CA) 2023-08-31 US disclosed
CN-113185400-B Purification method of 2, 6-naphthalene dicarboxylic acid 唐山开滦化工科技有限公司 2022-12-27 CN disclosed
CN-114478457-A Activatable aggregation-inducible luminescent probe and application thereof in sensitive detection of carbaryl 中南大学 2022-05-13 CN disclosed
WO-2022006498-A1 METHOD OF TREATING CORONAVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES PASCAL BIOSCIENCES INC. (CA) 2022-01-06 WO disclosed
CN-113185400-A Purification method of 2, 6-naphthalenedicarboxylic acid 唐山开滦化工科技有限公司 2021-07-30 CN disclosed
US-20210038559-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2021-02-11 US disclosed
US-4009157-A POLYESTER FOAMING AGENTS, FREE RADICAL CATALYSTS PENNWALT CORPORATION (US) 1977-02-22 US disclosed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US disclosed
US-4007165-A VINYL POLYMERIZATION INITIATORS POLYESTER CURING AGENTS PENNWALT CORPORATION (US) 1977-02-08 US disclosed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US disclosed
US-3993609-A ACID SENSITIVE AZO PROMOTERS PENNWALT CORPORATION (US) 1976-11-23 US disclosed
US-3936478-A Process for the preparation of desmosterol derivatives TEIJIN LIMITED (JA) 1976-02-03 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 (2 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-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES CNR1, CNR2, SARS1 CYP1A2 960/4885TSHR 3605/4885CYP2A6 159/4885
US-20210038559-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS CNR1, CNR2, CD74 CYP1A2 2728/4885TSHR 3699/4885CYP2A6 847/4885

“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.