SCHEMBL7915037

SCHEMBL7915037

c1ccc2cc(Cc3cccc4ccccc34)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
MC5R P33032 1/20 0.65
ALOX5 P09917 1/20 0.53
TBXA2R P21731 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGFR P43088 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
PTGDR Q13258 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
CTRC Q99895 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MPO P05164 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL31509450 1.00 MAPK1 (0.65) MAPK1MC5RALOX5TBXA2RPTGER4
SCHEMBL932837 0.83 MC5R (0.63) MAPK1MC5RCYP1A2CYP2A6CYP2C9
SCHEMBL31331676 0.81 ALOX5 (0.53) MAPK1MC5RALOX5TBXA2RPTGER4
SCHEMBL25403897 0.81 ALOX5 (0.50) MAPK1MC5RALOX5
SCHEMBL2516282 0.80 IDH1 (0.55) ALOX5CYP1A2CYP2C9CYP2C19
SCHEMBL5778428 0.80 MC5R (0.59) MAPK1MC5RCYP1A2CYP2A6CYP2C9
SCHEMBL49863 0.80 CYP1A2 (0.69) MAPK1MC5RCYP1A2CYP2A6CYP2C9
SCHEMBL31738884 0.79 CYP2C19 (0.54) CYP1A2CYP2C9CYP2C19
SCHEMBL147085 0.79 CYP2C19 (0.54) CYP1A2CYP2C9CYP2C19
SCHEMBL5551802 0.79 MC5R (0.58) MAPK1MC5RTBXA2RPTGER4PTGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045900-A1 COMPOSITION FOR RESIST UNDERLAYER FILM, PROCESS FOR FORMING RESIST UNDERLAYER FILM, PATTERNING PROCESS, AND FULLERENE DERIVATIVE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-23 US disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (1 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-20120045900-A1 COMPOSITION FOR RESIST UNDERLAYER FILM, PROCESS FOR FORMING RESIST UNDERLAYER FILM, PATTERNING PROCESS, AND FULLERENE DERIVATIVE TOP2A, TOP2B, YWHAE MAPK1 3936/4885MC5R 4065/4885ALOX5 313/4885

“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.