SCHEMBL9618744

SCHEMBL9618744

CCCCCCOc1ccc(C=CC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.53
▸ AHR P35869 1/20 0.53
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PLA2G4B P0C869 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ RARB P10826 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ CHRNA7 P36544 2/20 0.47
▸ CHRNA10 Q9GZZ6 2/20 0.47
▸ CHRNA9 Q9UGM1 2/20 0.47

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
SCHEMBL9997145 1.00 NR5A1 (0.53) NR5A1AHRTP53TSHRPLA2G4B
SCHEMBL9997954 1.00 NR5A1 (0.53) NR5A1AHRTP53TSHRPLA2G4B
SCHEMBL3432332 1.00 NR5A1 (0.53) NR5A1AHRTP53TSHRPLA2G4B
SCHEMBL9997950 1.00 NR5A1 (0.53) NR5A1AHRTP53TSHRPLA2G4B
SCHEMBL9997765 1.00 NR5A1 (0.53) NR5A1AHRTP53TSHRPLA2G4B
SCHEMBL9997219 1.00 NR5A1 (0.53) NR5A1AHRTP53TSHRPLA2G4B
SCHEMBL9997763 1.00 NR5A1 (0.53) NR5A1AHRTP53TSHRPLA2G4B
SCHEMBL9618743 1.00 NR5A1 (0.53) NR5A1AHRTP53TSHRPLA2G4B
SCHEMBL7278717 1.00 NR5A1 (0.53) NR5A1AHRTP53TSHRPLA2G4B
SCHEMBL7369341 0.98 AHR (0.54) NR5A1AHRTP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838621-B1 COMPOSITE OXIDES OR HYDOXIDES COMPRISING ALUMINA, ZIRCONIA AND OPTIONALLY CERIA AND/OR RARE EARTH OXIDES FOR AUTOMOTIVE CATALYST APPLICATIONS AND METHOD OF MANUFACTURING MAGNESIUM ELEKTRON LTD (GB) 2011-12-28 — — EP claimed
JP-4368343-A — — None — — JP disclosed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 — — US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 — — US disclosed
JP-H04368343-A LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE COMPOSITION HITACHI LTD 1992-12-21 — — 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 (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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 NR5A1 1149/4885AHR 1267/4885TP53 4307/4885

“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.

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