SCHEMBL487544

SCHEMBL487544

CC(C)c1ccc2c(O)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.53
ALDH1A1 P00352 2/20 0.52
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
TYR P14679 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MDM4 O15151 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CA5A P35218 1/20 0.52
HDAC4 P56524 1/20 0.52
MDM2 Q00987 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL19067391 0.85 CTDSP1 (0.53) PLAUALDH1A1ALOX12HTTTYR
SCHEMBL10224685 0.82 HDAC4 (0.57) PLAUALDH1A1HPGDALOX15HDAC4
SCHEMBL9179432 0.80 UGT2B7 (0.44) ALDH1A1ALOX12HTTTYRKDM4E
SCHEMBL12232848 0.78 NQO2 (0.55) ALDH1A1ALOX12HTTTYRKDM4E
SCHEMBL30876285 0.78 UGT2B7 (0.42) ALDH1A1ALOX12HTTTYRKDM4E
SCHEMBL8781801 0.78 UGT2B7 (0.42) ALDH1A1ALOX12HTTTYRKDM4E
SCHEMBL7927384 0.78 CYP1A2 (0.59) ALDH1A1ALOX12HTTTYRKDM4E
SCHEMBL10238671 0.77 CYP1A2 (0.48) ALDH1A1ALOX12HTTTYRKDM4E
SCHEMBL14572010 0.77 ALDH1A1 (0.48) PLAUALDH1A1ALOX12HTTKDM4E
SCHEMBL598202 0.76 AKR1B1 (0.54) ALDH1A1MAPTHPGDTDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250314-A1 COMPOSITION FOR FORMING A COATING FILM FOR REMOVING FOREIGN MATTERS NISSAN CHEMICAL CORPORATION (JP) 2023-08-10 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2013-12-19 US disclosed
US-8541532-B2 Silane compound, production method thereof, and resin composition containing silane compound NIPPON SHOKUBAI CO., LTD. (JP) 2013-09-24 US disclosed
CN-102337005-B Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND 2013-06-12 CN disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
EP-2180019-B1 Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND (JP) 2012-02-01 EP disclosed
CN-102337005-A Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND 2012-02-01 CN disclosed
CN-101831142-B Resin composition, preparation method thereof, and cured formulation NIPPON SHOKUBAI CO.,LTD. (JP) 2012-02-01 CN disclosed
US-7994167-B2 Pentafluorosulphanyl-substituted compound and its use for producing medicaments GRUENENTHAL GMBH (DE) 2011-08-09 US disclosed
CN-101035866-A Resin composition for optical packaging material, method for producing the same, optical packaging material, optical packaging member, and optical module NIPPON CATALYTIC CHEM IND (JP) 2007-09-12 CN disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
WO-2006038735-A1 RESIN COMPOSITION FOR OPTICAL PACKAGING MATERIAL AND PROCESS FOR PREPARING THE SAME, AND OPTICAL PACKAGING MATERIAL, OPTICAL PACKAGING COMPONENT, AND OPTICAL MODULE NIPPON SHOKUBAI CO., LTD. (JP) 2006-04-13 WO disclosed
EP-1626065-A1 Resin composition, method of its composition, and cured formulation Nippon Shokubai Co., Ltd. (JP) 2006-02-15 EP disclosed
US-20060029811-A1 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2006-02-09 US disclosed
CN-1730548-A Resin composition, method for producing same, and cured product NIPPON CATALYTIC CHEM IND (JP) 2006-02-08 CN disclosed
US-5003113-A Process of producing isopropylnaphthols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-03-26 US disclosed
EP-0370729-A1 Process for producing isopropylnaphthols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-05-30 EP disclosed
EP-0308133-A1 A method of oxidising secondary alkyl substituted naphthalenes MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-03-22 EP 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF PLAU 2648/4885ALDH1A1 1842/4885ALOX12 3532/4885
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND ZYX, NOX3, NOXO1 PLAU 4000/4885ALDH1A1 1943/4885ALOX12 76/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 PLAU 303/4885ALDH1A1 4709/4885ALOX12 3323/4885

“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.