SCHEMBL109440

SCHEMBL109440

Nc1ccc(O)c(C(O)CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PDE10A Q9Y233 1/20 0.42
PRKCI P41743 1/20 0.39
HPGD P15428 3/20 0.38
RECQL P46063 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CASP1 P29466 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
PTGS2 P35354 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TNF P01375 1/20 0.38
HSPD1 P10809 1/20 0.38

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
SCHEMBL6943380 0.84 TSHR (0.42) CYP3A4TSHRCA1CA2PDE10A
SCHEMBL29358097 0.83 THRB (0.36) CYP3A4TSHRCA1CA2PDE10A
SCHEMBL111094 0.83 THRB (0.36) CYP3A4TSHRCA1CA2PDE10A
Hydrochloric Acid SCHEMBL19549198 0.82 MAPT (0.39) CYP3A4TSHRCA1CA2PDE10A
SCHEMBL6946033 0.82 THRB (0.35) CYP3A4TSHRHPGDRECQLTDP1
SCHEMBL17774758 0.80 CA1 (0.42) CYP3A4TSHRCA1CA2PDE10A
SCHEMBL9150253 0.79 CYP3A4 (0.42) CYP3A4TSHRHPGDRECQLTDP1
SCHEMBL18826532 0.79 CA1 (0.48) CYP3A4TSHRCA1CA2PDE10A
SCHEMBL8016400 0.78 ADRB2 (0.42) CA1CA2PDE10AADRB2ADRB1
SCHEMBL5181377 0.78 PYGL (0.39) CYP3A4TSHRCA1CA2PDE10A

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 1609 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918671-B2 Multi-tone hair dyeing method in three steps HENKEL AG & CO. KGAA (DE) 2024-03-05 US claimed
US-20230031764-A1 MULTI-TONE HAIR DYEING METHOD IN THREE STEPS HENKEL AG & CO. KGAA (DE) 2023-02-02 US claimed
EP-3082751-B1 TETRASUBSTITUTED PYRIMIDINE DERIVATIVES IN OXIDATIVE DYEING PREPARATIONS HENKEL AG & CO KGAA (DE) 2018-09-19 EP claimed
US-9636288-B2 Means for oxidative dyeing of keratin fibers containing novel tetra-substituted derivatives of pyrimidine HENKEL AG & CO. KGAA (DE) 2017-05-02 US claimed
EP-3082751-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE Henkel AG & Co. KGaA (DE) 2016-10-26 EP claimed
US-20160296447-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE HENKEL AG & CO. KGAA (DE) 2016-10-13 US claimed
WO-2015090292-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE HENKEL AG & CO. KGAA (DE) 2015-06-25 WO claimed
EP-1359890-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2009-08-12 EP claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed
EP-1759735-B1 Method of selectively dyeing portions of hair HENKEL KGAA (DE) 2007-12-05 EP claimed
WO-2002003938-A1 IODO-CONTAINING ORGANIC COUPLERS FOR USE IN OXIDATIVE HAIR DYEING CLAIROL INCORPORATED (US) 2002-01-17 WO claimed
EP-1129688-A1 Hair coloring composition using an inorganic peroxymonosulfate salt as an oxidation agent. Bristol-Myers Squibb Company (US) 2001-09-05 EP claimed
WO-2001056538-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2001-08-09 WO claimed
WO-2001054656-A1 NOVEL PRIMARY INTERMEDIATE FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2001-08-02 WO claimed
EP-1120105-A2 1-(2,5-diaminophenyl)ethanol and its use in oxidative hair dyeing Bristol-Myers Squibb Company (US) 2001-08-01 EP claimed
US-6264703-B1 FOR DYEING HAIR CLAIROL INCORPORATED 2001-07-24 US claimed
US-6200353-B1 Coupler for use in oxidative hair dyeing BRISTOL MYERS SQUIBB COMPANY 2001-03-13 US claimed
EP-1048290-A2 Oxidative hair dye compositions with conditioning and enhanced color deposition Bristol-Myers Squibb Company (US) 2000-11-02 EP claimed
EP-1006104-A1 P-aminophenol substitute and its use in oxidation dye formulations Bristol-Myers Squibb Company (US) 2000-06-07 EP claimed
US-5980584-A NONTOXIC; REPLACEMENT FOR P-AMINOPHENOL IN OXIDATIVE HAIR DYE SYSTEMS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 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 (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-20160296447-A1 MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE KRT18, TK1, DPYD CYP3A4 1401/4885TSHR 2998/4885CA1 1854/4885
US-11918671-B2 Multi-tone hair dyeing method in three steps TYR, HAO2, HAAO CYP3A4 2007/4885TSHR 3526/4885CA1 525/4885
US-20230031764-A1 MULTI-TONE HAIR DYEING METHOD IN THREE STEPS TYR, HAO2, HAAO CYP3A4 2007/4885TSHR 3526/4885CA1 525/4885

“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.