SCHEMBL910590

SCHEMBL910590

O=[C]c1ccc(O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
TYR P14679 1/20 0.41
EGFR P00533 1/20 0.39
ALOX5 P09917 2/20 0.38
PTGS2 P35354 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GFER P55789 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
USP2 O75604 2/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 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
SCHEMBL476017 0.80 NR1H3 (0.45) CES2CA12CA1CA2CA7
SCHEMBL18130040 0.79 TYR (0.44) CES2CA12CA1CA2CA7
SCHEMBL3246072 0.78 CXCR1 (0.31)
SCHEMBL10650840 0.76 HSD17B10 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3810952 0.76 ESR1 (0.41) ESR1ESR2
SCHEMBL3718633 0.76 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL8333206 0.76 HSD17B10 (0.50) CA1CA2ALDH1A1TSHRALOX5
SCHEMBL6364905 0.76 TRPA1 (0.52) ALDH1A1GAAALOX15MEN1KMT2A
SCHEMBL4259409 0.76 CYP1A2 (0.45) CA9TSHRALOX15MEN1KMT2A
SCHEMBL910364 0.76 NPC1 (0.53) ALDH1A1TYRGAAALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
EP-3549574-A1 COMPOSITION FOR PROMOTING HAIR GROWTH OR HAIR RESTORATION, CONTAINING NOVEL PANTETHEINE-BASED SUBSTANCE Korea Institute of Ocean Science & Technology (KR) 2019-10-09 EP claimed
US-20190269593-A1 COMPOSITION FOR PROMOTING HAIR GROWTH CONTAINING NOVEL PANTETHEINE DERIVATIVE KOREA INSTITUTE OF OCEAN SCIENCE AND TECHNOLOGY (KR) 2019-09-05 US claimed
US-10376453-B1 Composition for promoting hair growth containing novel pantetheine derivative KOREA INSTITUTE OF OCEAN SCIENCE AND TECHNOLOGY (KR) 2019-08-13 US claimed
CN-108529992-A A kind of high-Miller-index surface and preparation method thereof 济南大学 2018-09-14 CN claimed
US-20180185257-A1 COMPOSITION FOR PROMOTING HAIR GROWTH CONTAINING NOVEL PANTETHEINE DERIVATIVE KOREA INSTITUTE OF OCEAN SCIENCE AND TECHNOLOGY (KR) 2018-07-05 US claimed
WO-2018101502-A1 COMPOSITION FOR PROMOTING HAIR GROWTH OR HAIR RESTORATION, CONTAINING NOVEL PANTETHEINE-BASED SUBSTANCE 한국해양과학기술원 2018-06-07 WO claimed
CN-106834268-A It is a kind of based on the diatomaceous functional material for fixing polycyclic aromatic hydrocarbon-degrading bacteria 光合强化(北京)生物科技有限公司 2017-06-13 CN claimed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO 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 (4 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-10376453-B1 Composition for promoting hair growth containing novel pantetheine derivative FGF1, HPGD, FGF2 CES2 4693/4885CA12 3292/4885CA1 3730/4885
US-20180185257-A1 COMPOSITION FOR PROMOTING HAIR GROWTH CONTAINING NOVEL PANTETHEINE DERIVATIVE EBP, HEXB, HDGF CES2 4020/4885CA12 3384/4885CA1 3613/4885
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB CES2 726/4885CA12 819/4885CA1 666/4885
US-20190269593-A1 COMPOSITION FOR PROMOTING HAIR GROWTH CONTAINING NOVEL PANTETHEINE DERIVATIVE FGF1, HPGD, HDGF CES2 4694/4885CA12 3442/4885CA1 3977/4885

“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.