SCHEMBL545685

SCHEMBL545685

CC(C)(C)c1cccc(-c2ccccc2)c1C(C)(C)C.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN5 P54829 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP2A6 P11509 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAPK1 P28482 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP2B6 P20813 1/20 0.35
KIF11 P52732 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPA1 O75762 1/20 0.34
PTGS2 P35354 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL1194487 0.98 CA2 (0.41) CA2ALDH1A1TSHRTDP1PTPN5
SCHEMBL27480276 0.98 CA2 (0.41) CA2ALDH1A1TSHRTDP1PTPN5
Phosphine SCHEMBL2238719 0.96 CA2 (0.40) CA2ALDH1A1TSHRTDP1PTPN5
Iodide SCHEMBL29162131 0.96 CA2 (0.40) CA2ALDH1A1TSHRTDP1PTPN5
SCHEMBL27587488 0.96 CA2 (0.40) CA2ALDH1A1TSHRTDP1PTPN5
Bicarbonate SCHEMBL27636739 0.91 CA2 (0.41) CA2ALDH1A1TSHRTDP1PTPN5
SCHEMBL27759190 0.90 CA2 (0.39) CA2ALDH1A1TSHRTDP1PTPN5
SCHEMBL26004347 0.85 ALDH1A1 (0.42) ALDH1A1TDP1PDCD1CD274HSD17B10
SCHEMBL31067657 0.84 ALDH1A1 (0.38) CA2ALDH1A1TSHRTDP1PTPN5
SCHEMBL4461655 0.83 CA2 (0.50) CA2ALDH1A1TSHRTDP1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553775-B2 Method for coating semiconductor surface, process for production of semiconductor particles using said method, and optical element using said semiconductor particles KABUSHIKI KAISHA TOSHIBA (JP) 2009-06-30 US claimed
US-20060046447-A1 Method for coating semiconductor surface, process for production of semiconductor particles using said method, and optical element using said semiconductor particles KABUSHIKI KAISHA TOSHIBA (JP) 2006-03-02 US claimed
US-12421178-B2 Non-cryogenic, ammonia-free reduction of aryl compounds University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-09-23 US disclosed
US-20240092708-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2024-03-21 US disclosed
US-11866386-B2 Non-cryogenic, ammonia-free reduction of aryl compounds University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2024-01-09 US disclosed
US-20220089508-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-03-24 US disclosed
CN-110997871-A Liquid crystal compounds 默克专利股份有限公司 2020-04-10 CN disclosed
EP-3052513-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ULIPRISTAL ACETATE AND ITS 4'-ACETYL ANALOGUE RICHTER GEDEON NYRT (HU) 2018-12-05 EP disclosed
EP-3004036-B1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LTD (IE) 2017-11-22 EP disclosed
US-9676814-B2 Industrial process for the synthesis of ulipristal acetate and its 4′-acetyl analogue RICHTER GEDEON NYRT. (HU) 2017-06-13 US disclosed
US-20160311849-A1 Industrial Process for the Synthesis of Ulipristal Acetate and its 4'-Acetyl Analogue RICHTER GEDEON NYRT. (HU) 2016-10-27 US disclosed
WO-1993003071-A1 PREPARATION OF FUNCTIONALIZED POLYMERS UTILIZING A REACTIVE FORM OF CALCIUM BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-02-18 WO disclosed
WO-1992019595-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1992-11-12 WO disclosed
EP-0512831-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-11-11 EP disclosed
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP disclosed
US-4977255-A Steroidal 17α-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1990-12-11 US disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
EP-0334875-A1 STEROIDAL 17$g(a)-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1989-10-04 EP disclosed
EP-0268400-A1 Steroidal 17alpha-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1988-05-25 EP disclosed
WO-1988003534-A1 STEROIDAL 17alpha-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1988-05-19 WO 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-20240092708-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds NAT1, AADAC, ARNT CA2 894/4885ALDH1A1 3341/4885TSHR 3203/4885
US-20160311849-A1 Industrial Process for the Synthesis of Ulipristal Acetate and its 4'-Acetyl Analogue AADAC, NAT1, UBA1 CA2 2441/4885ALDH1A1 26/4885TSHR 3308/4885
US-12421178-B2 Non-cryogenic, ammonia-free reduction of aryl compounds NAT1, AADAC, ARNT CA2 894/4885ALDH1A1 3341/4885TSHR 3203/4885
US-20220089508-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds NAT1, AADAC, ARNT CA2 894/4885ALDH1A1 3341/4885TSHR 3203/4885
US-11866386-B2 Non-cryogenic, ammonia-free reduction of aryl compounds NAT1, AADAC, ARNT CA2 894/4885ALDH1A1 3341/4885TSHR 3203/4885

“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.