SCHEMBL2292003

SCHEMBL2292003

CC(C)[CH]CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 5/20 0.41
SLC6A2 P23975 2/20 0.41
CYP2A6 P11509 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ATM Q13315 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
AOC3 Q16853 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7392866 0.87 SIGMAR1 (0.46) SIGMAR1MAOA
SCHEMBL8714626 0.83 TDP1 (0.43) SIGMAR1ALDH1A1TDP1GPR52
SCHEMBL3624305 0.81 TRPA1 (0.43) SIGMAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL451147 0.78 GPR52 (0.47) GPR52
SCHEMBL106720 0.78 GPR52 (0.47) GPR52
SCHEMBL8812260 0.78 TP53 (0.41) SIGMAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL1289345 0.76 MAOB (0.52) SIGMAR1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL4820232 0.76 KCNH2 (0.41) SIGMAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL5677450 0.75 SIGMAR1 (0.42) SIGMAR1
SCHEMBL392681 0.74 AOC3 (0.43) SIGMAR1ALDH1A1HPGDAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110250444-A1 INTERMEDIATE TRANSFER MEMBER AND METHOD OF MANUFACTURE XEROX CORPORATION (US) 2011-10-13 US claimed
US-8025967-B1 Intermediate transfer member and method of manufacture XEROX CORPORATION (US) 2011-09-27 US claimed
CN-102159545-A Small molecule leptin receptor modulators ASTRAZENECA AB 2011-08-17 CN claimed
US-7993735-B1 Intermediate transfer member and method of manufacture XEROX CORPORATION (US) 2011-08-09 US claimed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
US-20170056313-A1 NAIL COATINGS HAVING ENHANCED ADHESION CREATIVE NAIL DESIGN, INC. (US) 2017-03-02 US disclosed
US-20110250444-A1 INTERMEDIATE TRANSFER MEMBER AND METHOD OF MANUFACTURE XEROX CORPORATION (US) 2011-10-13 US disclosed
US-8025967-B1 Intermediate transfer member and method of manufacture XEROX CORPORATION (US) 2011-09-27 US disclosed
CN-102159545-A Small molecule leptin receptor modulators ASTRAZENECA AB 2011-08-17 CN disclosed
US-7993735-B1 Intermediate transfer member and method of manufacture XEROX CORPORATION (US) 2011-08-09 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
US-4435324-A Process for the preparation of 1-alkylaminoanthraquinones BAYER AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed
EP-0063298-B1 PROCESS FOR THE PREPARATION OF 1-ALKYLAMINO ANTHRAQUINONES BAYER AG (DE) 1984-02-22 EP disclosed
EP-0001249-A1 Process for preparing substituted 1-aminoanthraquinones BAYER AG (DE) 1979-04-04 EP disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4041053-A DYES OR INTERMEDIATES THEREFOR BAYER AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-4000167-A DYEING POLYESTER FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US 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 (1 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-20170056313-A1 NAIL COATINGS HAVING ENHANCED ADHESION POLR1C, PIK3C3, NACA SIGMAR1 1606/4885ALDH1A1 1567/4885HPGD 4407/4885

“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.