SCHEMBL129082

SCHEMBL129082

[CH2]c1cccc(OCC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
CYP3A4 P08684 1/20 0.59
NQO1 P15559 1/20 0.48
LTA4H P09960 1/20 0.47
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
CREBBP Q92793 1/20 0.46
MAPK1 P28482 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10543929 0.87 LTA4H (0.63) TP53CYP3A4NQO1LTA4HMAPK1
1,3-Diethoxybenzene SCHEMBL1100167 0.84 TP53 (0.71) TP53CYP3A4NQO1LTA4HBRD4
SCHEMBL910975 0.83 KMT2A (0.54) TP53CYP3A4LTA4HKDM4EMAPT
SCHEMBL7387402 0.83 KDM4E (0.47) TP53CYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL3210462 0.82 TSHR (0.54) LTA4HCYP1A2CYP2C19SMN1; SMN2THRB
SCHEMBL2403724 0.80 TSHR (0.62) LTA4HTHRBKMT2ATSHR
SCHEMBL7594551 0.79 MAPK1 (0.39) TP53CYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL7004188 0.79 TSHR (0.65) LTA4HTHRBKMT2ATSHR
SCHEMBL2093051 0.79 TSHR (0.65) LTA4HTHRBKMT2ATSHR
SCHEMBL7335074 0.79 TSHR (0.65) LTA4HTHRBKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087163-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2021-03-25 US claimed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US claimed
CN-107074801-A Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators 里亚塔医药公司 2017-08-18 CN claimed
EP-2544535-B1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIV (US) 2017-04-19 EP claimed
US-9617239-B2 Phenoxy thiophene sulfonamides and their use as inhibitors of glucuronidase NORTH CAROLINA CENTRAL UNIVERSITY (US) 2017-04-11 US claimed
EP-3112352-A1 OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2017-01-04 EP claimed
US-20160237058-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2016-08-18 US claimed
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN claimed
US-8778956-B2 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US claimed
US-20130345235-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-12-26 US claimed
EP-0607334-B1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS DU PONT MERCK PHARMA (US) 1997-07-30 EP claimed
EP-0607334-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. DU PONT MERCK PHARMA (US) 1994-07-27 EP claimed
EP-0301873-B1 2'-deoxy-5-fluorouridine derivatives TAIHO PHARMACEUTICAL CO LTD (JP) 1994-06-08 EP claimed
WO-1993007128-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO claimed
US-4946951-A ANTICARCINOGENIC AND-TUMOR AGENTS; VIRICIDES TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US claimed
CN-1032169-A 2 '-deoxidation-5 FU 5 fluorouracil nucleoside derivates TAIHO PHARMACEUTICAL CO LTD (JP) 1989-04-05 CN claimed
EP-0301873-A2 2'-deoxy-5-fluorouridine derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1989-02-01 EP claimed
EP-0116276-B1 DERIVATIVES OF SPIROCYCLIC AMINO-ACIDS, THEIR PROCESS OF PREPARATION, AGENTS CONTAINING THEM, AND THEIR USE, AS WELL AS SPIROCYCLIC AMINO-ACIDS AS INTERMEDIARIES AND THEIR PROCESS OF PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-11 EP claimed
US-4591376-A PLANT GROWTH REGULATORS SCHERING AKTIENGESELLSCHAFT (DE) 1986-05-27 US claimed
EP-0126234-A2 1,2,3-Thiadiazol-3-in-5-ylidene ureas, their preparation and compositions as plant-growth regulators and defoliants SCHERING AKTIENGESELLSCHAFT (DE) 1984-11-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB TP53 160/4885CYP3A4 552/4885NQO1 183/4885
US-20130345235-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE CES2, TOP1, GUSB TP53 819/4885CYP3A4 253/4885NQO1 511/4885
US-20160237058-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE TOP2A, TOP1, PNP TP53 2251/4885CYP3A4 212/4885NQO1 216/4885
US-20210087163-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE TOP2A, TOP1, PNP TP53 2251/4885CYP3A4 212/4885NQO1 216/4885

“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.