SCHEMBL9900712

SCHEMBL9900712

CC(=O)C(C)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
CYP2C19 P33261 1/20 0.58
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 2/20 0.49
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
ALPL P05186 1/20 0.46

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
SCHEMBL19725364 1.00 GAA (0.58) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL11527529 0.92 CYP1A2 (0.56) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL8363887 0.88 CYP1A2 (0.77) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL473828 0.84 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL127395 0.84 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL43054 0.84 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
Benzene SCHEMBL27779381 0.84 CYP1A2 (0.78) GAACYP1A2CYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL8691488 0.83 CYP1A2 (0.75) GAACYP1A2CYP2C9PKMCYP2C19
Hydrochloric Acid SCHEMBL1961683 0.83 CYP1A2 (0.75) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL18205114 0.83 CYP1A2 (0.75) GAACYP1A2CYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3235799-B1 OXIME COMPOUND AND HERBICIDE NISSAN CHEMICAL CORP (JP) 2022-02-23 EP disclosed
US-20210230360-A1 POLYCARBONATE AND PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2021-07-29 US disclosed
US-11000033-B2 Ketone or oxime compound, and herbicide NISSAN CHEMICAL CORPORATION (JP) 2021-05-11 US disclosed
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL CORPORATION (JP) 2019-02-21 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
EP-3235799-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
WO-2016098899-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE 日産化学工業株式会社 2016-06-23 WO disclosed
US-9255103-B2 Substituted pyrazolo[1,5-a]pyrazines as mGluR5 receptor modulators VANDERBILT UNIVERSITY (US) 2016-02-09 US disclosed
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2010-06-24 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-4251622-A CONTAINING A DYE, AN ARYL KETONE SENSITIZER, AND AN N-SUBSTITUTED POLYAMIDE OR A VINYL ACETATE POLYMER OF HIGH MOLECULAR WEIGHT NIPPON PAINT CO., LTD. (JP) 1981-02-17 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 (8 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-11000033-B2 Ketone or oxime compound, and herbicide OR10J3, CYP1B1, CBR3 GAA 3870/4885CYP1A2 54/4885CYP2C9 20/4885
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 GAA 3312/4885CYP1A2 1717/4885CYP2C9 3950/4885
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES RNMT, VEGFA, VHL GAA 1188/4885CYP1A2 2360/4885CYP2C9 4426/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 GAA 4203/4885CYP1A2 1069/4885CYP2C9 3826/4885
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 GAA 3886/4885CYP1A2 57/4885CYP2C9 20/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF GAA 4720/4885CYP1A2 3938/4885CYP2C9 4314/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF GAA 4174/4885CYP1A2 2140/4885CYP2C9 4529/4885
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 GAA 3886/4885CYP1A2 57/4885CYP2C9 20/4885

“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.