SCHEMBL545684

SCHEMBL545684

CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.[LiH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
CA2 P00918 1/20 0.48
TRPA1 O75762 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KIF11 P52732 1/20 0.39
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL1194484 0.97 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCA2TRPA1
Phosphine SCHEMBL2238711 0.94 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL11020611 0.92 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL24626773 0.85 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL20034068 0.85 GABRA1 (0.50) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL5605717 0.83 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL2682153 0.83 CA2 (0.44) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL9261398 0.83 CYP2A6 (0.44) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL21798723 0.83 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL23105552 0.83 ALDH1A1 (0.59) ALDH1A1TDP1TSHRCA2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3052513-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ULIPRISTAL ACETATE AND ITS 4'-ACETYL ANALOGUE Richter Gedeon Nyrt. (HU) 2016-08-10 EP disclosed
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF LEO LABORATORIES LIMITED (IE) 2016-04-21 US disclosed
US-5281585-A Secondary amide containing antagonist MERCK & CO., INC. (US) 1994-01-25 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 (6 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 ALDH1A1 3341/4885TDP1 2066/4885TSHR 3203/4885
US-20160311849-A1 Industrial Process for the Synthesis of Ulipristal Acetate and its 4'-Acetyl Analogue AADAC, NAT1, UBA1 ALDH1A1 26/4885TDP1 3697/4885TSHR 3308/4885
US-12421178-B2 Non-cryogenic, ammonia-free reduction of aryl compounds NAT1, AADAC, ARNT ALDH1A1 3341/4885TDP1 2066/4885TSHR 3203/4885
US-20160107977-A1 METHODS OF SYNTHESIS OF INGENOL AND INTERMEDIATES THEREOF CYP51A1, ERG28, UTP20 ALDH1A1 2734/4885TDP1 4649/4885TSHR 2376/4885
US-20220089508-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds NAT1, AADAC, ARNT ALDH1A1 3341/4885TDP1 2066/4885TSHR 3203/4885
US-11866386-B2 Non-cryogenic, ammonia-free reduction of aryl compounds NAT1, AADAC, ARNT ALDH1A1 3341/4885TDP1 2066/4885TSHR 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.