SCHEMBL48966

SCHEMBL48966

O=C(O)c1[nH]c2cccc(O)c2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
GPR17 Q13304 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
DNMT1 P26358 1/20 0.42
RECQL P46063 1/20 0.42
CASP6 P55212 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL29350550 1.00 IMPDH2 (0.47) IMPDH2IMPDH1GPR17MEN1KMT2A
Water SCHEMBL28121843 0.98 IMPDH2 (0.46) IMPDH2IMPDH1GPR17MEN1KMT2A
SCHEMBL28718284 0.84 IMPDH2 (0.46) IMPDH2IMPDH1GPR17MEN1KMT2A
SCHEMBL27396667 0.82 GPR17 (0.60) GPR17MEN1KMT2AKDM4EALDH1A1
SCHEMBL8112949 0.80 CA12 (0.50) IMPDH2IMPDH1MEN1KMT2AKDM4E
SCHEMBL1490130 0.74 IMPDH2 (0.55) IMPDH2IMPDH1MEN1KMT2AKDM4E
SCHEMBL7461151 0.74 IMPDH2 (0.43) IMPDH2IMPDH1MEN1KMT2AKDM4E
SCHEMBL62193 0.73 KDM4E (0.62) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL30366683 0.73 KDM4E (0.62) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL3886120 0.73 IMPDH2 (0.71) IMPDH2IMPDH1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240000694-A1 Methods and Materials for Matching Chemistry of Individuals and Human Melanin UNIV NORTHWESTERN (US) 2024-01-04 US claimed
CN-116500175-A Method for measuring content of melanin precursor and application 珠海市丝域生物科技有限公司 2023-07-28 CN claimed
CN-113520913-B Hair dye containing silica nanoparticles loaded with dihydroxyindole carboxylic acid 绍兴孚原生物科技有限公司 2022-10-21 CN claimed
CN-113520913-A Hair dye containing silica nanoparticles loaded with dihydroxyindole carboxylic acid 绍兴孚原生物科技有限公司 2021-10-22 CN claimed
US-7758861-B2 Dye-sulfenates for dual phototherapy MALLINCKRODT INC. (US) 2010-07-20 US claimed
EP-1409482-B1 DYE-SULFENATES FOR DUAL PHOTOTHERAPY MALLINCKRODT INC (US) 2009-12-30 EP claimed
US-20080275017-A1 AROMATIC SULFENATES FOR TYPE I PHOTOTHERAPY MALLINCKRODT LLC 2008-11-06 US claimed
US-7427657-B1 absorb low-energy ultraviolet, visible, or near-infrared (NIR) region of the electromagnetic spectrum; phototherapeutic effect is caused by direct interaction of free radicals, the reactive intermediate produced upon photofragmentation of the sulfenate moiety, with the tissue of interest MALLINCKRODT INC. (US) 2008-09-23 US claimed
EP-1405627-B1 Antipenetrating hair pretreatment composition based on polyethelenoxide polymer(s) and process using said composition for limiting skin penetration by colourants OREAL (FR) 2008-04-30 EP claimed
EP-1442465-A4 COMPONENTS BASED ON MELANIN AND MELANIN-LIKE BIO-MOLECULES AND PROCESSES FOR THEIR PRODUCTION UNIV QUEENSLAND (AU) 2007-08-29 EP claimed
EP-0820275-A4 COSMETIC MELANINS UNIV YALE (US) 2000-03-08 EP claimed
US-5744125-A OXIDATIVE POLYMERIZATION OF PRECURSORS THAT ENHANCE SUBSTANTIVITY OR ADHERENCE TO HAIR OR SKIN YALE UNIVERSITY (US) 1998-04-28 US claimed
EP-0820275-A1 COSMETIC MELANINS YALE UNIVERSITY (US) 1998-01-28 EP claimed
US-5618519-A USEFUL FOR PROVIDING A NATURALLY-APPEARING TAN TO MAMMALIAN SKIN AND HAIR; PRODUCED BY POLYMERIZING DIHYDROXYINDOLE CARBOXYLIC ACID WITH AERATION YALE UNIVERSITY (US) 1997-04-08 US claimed
WO-1996025920-A9 COSMETIC MELANINS 1996-10-31 WO claimed
WO-1996025920-A1 COSMETIC MELANINS YALE UNIVERSITY (US) 1996-08-29 WO claimed
US-5384116-A Synthetic melanin as a sunscreen and tanning agent YALE UNIVERSITY (US) 1995-01-24 US claimed
US-5227459-A Synthetic melanin YALE UNIVERSITY (US) 1993-07-13 US claimed
US-5218079-A From dihydroxyindolecarboxylic acid YALE UNIVERSITY (US) 1993-06-08 US claimed
US-5216116-A Polymerizing a dihydroxyindole-carboxylic acid in the presence of a sulfhydryl compound YALE UNIVERSITY (US) 1993-06-01 US claimed

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-20240000694-A1 Methods and Materials for Matching Chemistry of Individuals and Human Melanin TYR, MC1R, HLA-C IMPDH2 2596/4885IMPDH1 2395/4885GPR17 4337/4885
US-20080275017-A1 AROMATIC SULFENATES FOR TYPE I PHOTOTHERAPY TYR, SULT1A1, TPST2 IMPDH2 2313/4885IMPDH1 903/4885GPR17 1122/4885

“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.