SCHEMBL382822

SCHEMBL382822

COC(=O)c1ccc(OC)cc1C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
NR4A2 P43354 1/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL1956889 0.90 KDM4E (0.60) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2305372 0.90 ALDH1A1 (0.62) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5736385 0.90 KDM4E (0.60) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2310701 0.90 ALDH1A1 (0.62) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9541390 0.89 KDM4E (0.58) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7765927 0.89 KDM4E (0.58) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25839264 0.88 ALDH1A1 (0.56) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27737353 0.88 ALDH1A1 (0.56) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9550314 0.88 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18374571 0.87 KDM4E (0.57) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111019199-A Sealing ring and preparation method thereof 惠州麦丰密封科技有限公司 2020-04-17 CN claimed
WO-2022087125-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN ARVINAS OPERATIONS, INC. (US) 2022-04-28 WO disclosed
US-11021455-B2 Brominated furanone derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2021-06-01 US disclosed
WO-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 US disclosed
CN-111019199-A Sealing ring and preparation method thereof 惠州麦丰密封科技有限公司 2020-04-17 CN disclosed
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2019-11-14 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-20050261279-A1 Compounds GLAXO GROUP LIMITED (GB) 2005-11-24 US disclosed
EP-1511727-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2005-03-09 EP disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 WO disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 WO disclosed
WO-2004047837-A2 BETA-BLOCKERS HAVING ANTIOXIDANT AND NITRIC OXIDE-DONOR ACTIVITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-06-10 WO disclosed
WO-2003099786-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2003-12-04 WO disclosed
EP-0238753-B1 N-SUBSTITUTED CONDENSED POLYMETHYLENE IMINE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-01-15 EP disclosed
US-4959374-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, GLAUCOMA, HYPERGLYCEMIC AGENTS, ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1990-09-25 US disclosed
EP-0238753-A1 N-substituted condensed polymethylene imine derivatives BEECHAM GROUP PLC (GB) 1987-09-30 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 (5 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-20050261279-A1 Compounds CBR1, CBR3, OXER1 KDM4E 4005/4885CYP1A2 1026/4885CYP2D6 184/4885
US-11021455-B2 Brominated furanone derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient TAS2R20, BLVRB, FDPS KDM4E 385/4885CYP1A2 2233/4885CYP2D6 2965/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM KDM4E 488/4885CYP1A2 2381/4885CYP2D6 3118/4885
US-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 KDM4E 1315/4885CYP1A2 363/4885CYP2D6 575/4885
US-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 KDM4E 1802/4885CYP1A2 18/4885CYP2D6 40/4885

“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.