SCHEMBL633333

SCHEMBL633333

NCc1c(O)cccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
TAAR1 Q96RJ0 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 4/20 0.45
CA2 P00918 3/20 0.45
HPGD P15428 3/20 0.45
RECQL P46063 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
EGFR P00533 2/20 0.45
LMNA P02545 2/20 0.45
FYN P06241 2/20 0.45
MMP9 P14780 2/20 0.45
CA1 P00915 2/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
CA6 P23280 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
Hydrochloric Acid SCHEMBL10351616 0.97 ALDH1A1 (0.50) ALDH1A1MAPTTAAR1KDM4EGAA
Bromide SCHEMBL2385573 0.97 ALDH1A1 (0.50) ALDH1A1MAPTTAAR1KDM4EGAA
SCHEMBL1033771 0.85 ALOX15 (0.50) ALDH1A1MAPTTAAR1KDM4EGAA
SCHEMBL31737175 0.83 TAAR1 (0.44) ALDH1A1MAPTTAAR1KDM4EGAA
SCHEMBL31737691 0.83 TAAR1 (0.44) ALDH1A1MAPTTAAR1KDM4EGAA
SCHEMBL8053878 0.83 TAAR1 (0.45) ALDH1A1MAPTTAAR1KDM4EGAA
SCHEMBL6822756 0.83 TAAR1 (0.52) ALDH1A1MAPTTAAR1KDM4EGAA
SCHEMBL31737298 0.83 TAAR1 (0.52) ALDH1A1MAPTTAAR1KDM4EGAA
SCHEMBL8706764 0.83 TRPA1 (0.50) ALDH1A1MAPTTAAR1KDM4EGAA
SCHEMBL11509195 0.81 MAPT (0.56) ALDH1A1MAPTTAAR1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113903935-B Method for producing porous nitrogen-containing carbon materials with metal dopants, in particular for use as oxygen reduction (ORR) catalysts 原子能与替代能源委员会 2024-10-15 CN claimed
CN-113903935-A Method for producing porous nitrogen-containing carbon materials with metal dopants, in particular for use as oxygen reduction (ORR) catalysts 原子能与替代能源委员会 2022-01-07 CN claimed
EP-0915832-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX INC (US) 2002-10-02 EP claimed
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP claimed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO claimed
EP-0122523-A2 Diazotype compositions and materials Andrews Paper and Chemical Co., Inc. (US) 1984-10-24 EP claimed
CN-113903935-B Method for producing porous nitrogen-containing carbon materials with metal dopants, in particular for use as oxygen reduction (ORR) catalysts 原子能与替代能源委员会 2024-10-15 CN disclosed
CN-113903935-A Method for producing porous nitrogen-containing carbon materials with metal dopants, in particular for use as oxygen reduction (ORR) catalysts 原子能与替代能源委员会 2022-01-07 CN disclosed
EP-2245031-B1 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2014-02-26 EP disclosed
US-8575182-B2 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) 2013-11-05 US disclosed
EP-1866357-B1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO KK (JP) 2012-02-22 EP disclosed
US-8044235-B2 (Meth) acryloyl group-containing aromatic isocyanate compound and production process thereof SHOWA DENKO K.K. (JP) 2011-10-25 US disclosed
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2011-09-22 US disclosed
EP-1443362-A2 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-08-04 EP disclosed
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
CN-1458922-A Urea derivative and adhesive-molecule inhibitor containing same as ctive ingredient TORAY INDUSTRIES (JP) 2003-11-26 CN disclosed
EP-1353636-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G-Clairol, Inc. (US) 2003-10-22 EP disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP disclosed
WO-2002094208-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G - CLAIROL, INC. (US) 2002-11-28 WO disclosed
US-20020147193-A1 Novel couplers for use in oxidative hair dyeing CLAIROL INCORPORATED 2002-10-10 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 (3 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM ALDH1A1 283/4885MAPT 259/4885TAAR1 3326/4885
US-20020147193-A1 Novel couplers for use in oxidative hair dyeing CBR1, CBR3, MT-CO1 ALDH1A1 14/4885MAPT 3531/4885TAAR1 171/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP ALDH1A1 513/4885MAPT 2860/4885TAAR1 1807/4885

“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.