SCHEMBL2048962

SCHEMBL2048962

COc1c(O)c(C(=O)c2ccccc2O)c(S(=O)(=O)O)c(S(=O)(=O)O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
CYP2C19 P33261 3/20 0.43
HPGD P15428 3/20 0.43
AR P10275 2/20 0.43
CYP1A2 P05177 2/20 0.43
PGR P06401 2/20 0.43
SLC6A2 P23975 2/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
ALOX15 P16050 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 4/20 0.40
STS P08842 1/20 0.39
KMT2A Q03164 3/20 0.38
LIG1 P18858 1/20 0.36

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
SCHEMBL1356361 0.99 LMNA (0.43) LMNACYP2C19HPGDARCYP1A2
SCHEMBL26110849 0.85 MAPT (0.46) LMNACYP2C19HPGDCYP1A2PGR
SCHEMBL29044930 0.84 LMNA (0.43) LMNACYP2C19HPGDARCYP1A2
SCHEMBL27643290 0.81 HPGD (0.51) LMNACYP2C19HPGDARCYP1A2
SCHEMBL10766603 0.76 HPGD (0.53) LMNACYP2C19HPGDARCYP1A2
SCHEMBL7832016 0.76 MAPT (0.46) LMNACYP2C19HPGDCYP1A2PGR
SCHEMBL23036909 0.75 MAPT (0.45) LMNACYP2C19HPGDCYP1A2PGR
SCHEMBL8428996 0.74 LMNA (0.51) LMNACYP2C19HPGDARCYP1A2
SCHEMBL26110853 0.73 MAPT (0.46) LMNACYP2C19HPGDCYP1A2PGR
SCHEMBL5181783 0.70 GSTA1 (0.47) LMNACYP2C19HPGDARCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US claimed
US-7658769-B2 Oxidation hair dye composition HOYU CO., LTD. (JP) 2010-02-09 US claimed
US-20090089940-A1 Oxidation Hair Dye Composition HOYU CO., LTD. (JP) 2009-04-09 US claimed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO claimed
JP-5286829-A None JP disclosed
CN-108366943-B Hair treatment method 花王株式会社 2022-01-25 CN disclosed
EP-3395323-B1 METHOD FOR TREATING HAIR KAO CORP (JP) 2021-09-29 EP disclosed
US-20190038532-A1 METHOD FOR TREATING HAIR KAO CORPORATION (JP) 2019-02-07 US disclosed
EP-3395323-A1 HAIR TREATMENT METHOD Kao Corporation (JP) 2018-10-31 EP disclosed
US-20160120770-A1 LAYERED DOUBLE HYDROXIDE CAPABLE OF ADSORBING UNSATURATED FATTY ACIDS SELECTIVELY, AND COSMETIC PRODUCED USING SAID LAYERED DOUBLE HYDROXIDE TAYCA CORPORATION (JP) 2016-05-05 US disclosed
EP-0743847-B1 HAIR COSMETIC COMPOSITION KAO CORP (JP) 2001-05-30 EP disclosed
EP-0662314-B1 Method of hair treatment KAO CORP (JP) 1999-11-03 EP disclosed
US-5683685-A NAPHTHALENESULFONIC ACID AND/OR BENZOPHENONE SULFONIC ACID WITH ANIONIC AND/OR AMPHOTERIC SURFACTANT WITH OIL KAO CORPORATION (JP) 1997-11-04 US disclosed
EP-0743847-A1 HAIR COSMETIC COMPOSITION Kao Corporation (JP) 1996-11-27 EP disclosed
WO-1995020375-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 1995-08-03 WO disclosed
EP-0662314-A1 Method of hair treatment Kao Corporation (JP) 1995-07-12 EP disclosed
JP-H05286829-A HAIR TREATING AGENT COMPOSITION KAO CORP 1993-11-02 JP 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 (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-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 LMNA 1819/4885CYP2C19 57/4885HPGD 601/4885
US-20190038532-A1 METHOD FOR TREATING HAIR TYR, POLR1C, CA7 LMNA 2120/4885CYP2C19 1028/4885HPGD 2990/4885

“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.