SCHEMBL7330936

SCHEMBL7330936

CCCCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.63
CYP3A4 P08684 5/20 0.63
CYP19A1 P11511 8/20 0.58
CYP2C9 P11712 7/20 0.58
CYP2C19 P33261 7/20 0.58
CYP1A2 P05177 6/20 0.58
RARB P10826 4/20 0.54
LTA4H P09960 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL2357155 0.96 CYP2D6 (0.59) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL4867079 0.94 RARB (0.61) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL2356972 0.94 RARB (0.61) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL2356412 0.94 RARB (0.61) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL12972983 0.94 RARB (0.61) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL7697448 0.94 RARB (0.61) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1792760 0.94 RARB (0.61) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL916469 0.94 LTA4H (0.57) CYP2D6CYP3A4CYP1A2LTA4HSMN1; SMN2
SCHEMBL9155411 0.92 MAPT (0.55) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL11578764 0.91 LTA4H (0.55) CYP2D6CYP3A4CYP1A2LTA4HSMN1; SMN2

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-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF BALAGURUNATHAN KUBERAN 2010-06-10 US disclosed
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
EP-0872484-B1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2002-10-02 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
US-5993690-A Organosilicon compound, liquid crystal composition, and liquid-crystal display element CHISSO CORPORATION (JP) 1999-11-30 US disclosed
EP-0872484-A1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-10-21 EP disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed
EP-0343606-B1 An engineering plastic composition and an article made of the same SEIKISUI CHEMICAL CO LTD (JP) 1995-01-18 EP disclosed
US-5011879-A With adjuvants of p-quaterphenyl or its hydroxy, alkoxy or alkyl ester derivatives; melt viscosity, heat resistance, molding materials SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-04-30 US disclosed
EP-0343606-A1 An engineering plastic composition and an article made of the same SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-11-29 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-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF CSGALNACT1, ST3GAL3, FUT6 CYP2D6 497/4885CYP3A4 1078/4885CYP19A1 2613/4885

“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.