SCHEMBL4135611

SCHEMBL4135611

CCc1c(C)ccc(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
TRPA1 O75762 2/20 0.39
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
ELANE P08246 1/20 0.32
KDM4E B2RXH2 2/20 0.32
AR P10275 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL14028800 0.85 GABRA1 (0.34) ALDH1A1NOS3NOS2GABRA1GABRB2
SCHEMBL5195607 0.85 TRPA1 (0.41) ALDH1A1NOS3NOS2GABRA1GABRB2
SCHEMBL71053 0.85 ESR1 (0.43) ALDH1A1TRPA1ESR1ESR2TSHR
SCHEMBL13057531 0.83 GABRA1 (0.50) ALDH1A1NOS3NOS2GABRA1GABRB2
SCHEMBL24344144 0.81 NOS3 (0.35) ALDH1A1NOS3NOS2GABRA1GABRB2
SCHEMBL9497778 0.81 NOS2 (0.44) ALDH1A1NOS3NOS2GABRA1GABRB2
SCHEMBL27488816 0.81 ALDH1A1 (0.37) ALDH1A1NOS3NOS2GABRA1GABRB2
SCHEMBL5356606 0.81 NOS3 (0.39) ALDH1A1NOS3NOS2GABRA1GABRB2
SCHEMBL19003090 0.81 SIRT1 (0.40) ALDH1A1NOS3NOS2GABRA1GABRB2
SCHEMBL19880547 0.81 NOS3 (0.35) ALDH1A1NOS3NOS2GABRA1GABRB2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO disclosed
US-20170349563-A1 FORMATION OF CHROMANES BASED ON INTERMOLECULAR REACTION OF ALKYNES WITH DIMETHYLFURAN IN THE PRESENCE OF GOLD(I) COMPLEXES DSM IP ASSETS B.V. (NL) 2017-12-07 US disclosed
US-8883379-B2 Resist-protective film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-11 US disclosed
US-20130143162-A1 RESIST-PROTECTIVE FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-06 US disclosed
US-7977400-B2 polyimide, unsaturated polymerizable compound, photoinitiator; crosslinkable to form addition-condensation copolymer or polyetherimide copolymer; no imidation of polymer through high-temperature heat treatment; alkaline development; polyimide film having excellent heat resistance, strength, elongation TORAY INDUSTRIES, INC. (JP) 2011-07-12 US disclosed
US-7476476-B2 Photosensitive resin composition, electronic component using the same, and display unit using the same TORAY INDUSTRIES, INC. (JP) 2009-01-13 US disclosed
US-20090011862-A1 Golf Ball with Negative Hardness Gradient Core JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2009-01-08 US disclosed
US-20080115297-A1 2-(Amino or Substituted Amino)-5, 6-Substituted Phenol Compounds, Dyeing Compositions Containing Them, and Use Thereof BOLTON PHILIP D 2008-05-22 US disclosed
US-20080108723-A1 Photosensitive Resin Composition TORAY INDUSTRIES, INC. (JP) 2008-05-08 US disclosed
US-7341605-B2 2-(Amino or substituted amino)-5, 6-substituted phenol compounds, dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-03-11 US disclosed
US-7303855-B2 Photoresist undercoat-forming material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-12-04 US 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-20080115297-A1 2-(Amino or Substituted Amino)-5, 6-Substituted Phenol Compounds, Dyeing Compositions Containing Them, and Use Thereof KRT18, S100A6, S100A4 ALDH1A1 403/4885NOS3 508/4885NOS2 388/4885
US-20170349563-A1 FORMATION OF CHROMANES BASED ON INTERMOLECULAR REACTION OF ALKYNES WITH DIMETHYLFURAN IN THE PRESENCE OF GOLD(I) COMPLEXES CBR1, DECR1, CBR3 ALDH1A1 91/4885NOS3 2863/4885NOS2 2528/4885
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 ALDH1A1 88/4885NOS3 2128/4885NOS2 2190/4885

“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.