SCHEMBL739464

SCHEMBL739464

CCOC(=O)c1ccccc1C(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
ALDH1A1 P00352 6/20 0.61
HSD17B10 Q99714 4/20 0.61
KDM4E B2RXH2 5/20 0.52
CDC25B P30305 3/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
NLRP3 Q96P20 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL12305563 0.88 TSHR (0.59) TSHRALDH1A1HSD17B10KDM4ECDC25B
SCHEMBL1789940 0.88 TSHR (0.65) TSHRALDH1A1HSD17B10KDM4ECDC25B
SCHEMBL11382549 0.88 TSHR (0.65) TSHRALDH1A1HSD17B10KDM4ECDC25B
SCHEMBL27714530 0.88 TSHR (0.65) TSHRALDH1A1HSD17B10KDM4ECDC25B
SCHEMBL9042119 0.86 TSHR (0.62) TSHRALDH1A1HSD17B10KDM4ECDC25B
SCHEMBL4316925 0.86 TSHR (0.58) TSHRALDH1A1HSD17B10KDM4ECDC25B
SCHEMBL2455680 0.85 TSHR (0.61) TSHRALDH1A1HSD17B10KDM4ECDC25B
SCHEMBL28972361 0.85 TSHR (0.61) TSHRALDH1A1HSD17B10KDM4ECDC25B
SCHEMBL13408181 0.85 TSHR (0.56) TSHRALDH1A1HSD17B10KDM4ECDC25B
SCHEMBL18375350 0.85 TSHR (0.56) TSHRALDH1A1HSD17B10KDM4ECDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
EP-3195361-A1 X-RAY DETECTOR AND X-RAY SYSTEMS USING ORGANIC PHOTODIODES General Electric Company (US) 2017-07-26 EP disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
EP-1377394-A1 LABEL SHEET FOR CLEANING AND CONVEYING MEMBER HAVING CLEANING FUNCTION Nitto Denko Corporation (JP) 2004-01-07 EP disclosed
CN-1433341-A Cleaning sheet, transport member using the cleaning sheet, and method of cleaning substrate processing apparatus using the cleaning sheet and the transport member NITTO DENKO CORP (JP) 2003-07-30 CN disclosed
CN-1433342-A Label sheel for cleaning conveying member having cleaning function NITTO DENKO CORP (JP) 2003-07-30 CN disclosed
WO-2002083332-A1 LABEL SHEET FOR CLEANING AND CONVEYING MEMBER HAVING CLEANING FUNCTION NITTO DENKO CORPORATION (JP) 2002-10-24 WO disclosed
EP-1171113-A1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-01-16 EP disclosed
WO-2000062770-A1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-10-26 WO disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 EP disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed
US-5294297-A Photocuring NIPPON STEEL CORPORATION (JP) 1994-03-15 US disclosed
EP-0559900-A1 METHOD OF SURFACE TREATING ROLLING ROLL NIPPON STEEL CORPORATION (JP) 1993-09-15 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 (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-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 TSHR 1402/4885ALDH1A1 764/4885HSD17B10 279/4885
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CBR3, VRK1 TSHR 3787/4885ALDH1A1 1954/4885HSD17B10 2823/4885

“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.