SCHEMBL4909050

SCHEMBL4909050

C=CC(F)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
CA2 P00918 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CA4 P22748 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
GMNN O75496 1/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL10855944 0.77 GABRA1 (0.50) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL7141221 0.77 GABRA1 (0.50) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL4853721 0.76
SCHEMBL387118 0.76 GABRA1 (0.48) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL9749392 0.76
SCHEMBL461883 0.76 GABRA1 (0.48) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL6536594 0.74 GABRA1 (0.46) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL89098 0.74 GABRA1 (0.46) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL10452219 0.74 GABRA1 (0.46) GABRA1GABRB2TSHRALDH1A1ALOX15
SCHEMBL10507496 0.74 GABRA1 (0.58) GABRA1GABRB2TSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9278854-A None JP disclosed
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES BAKER MAX T 2008-12-18 US disclosed
US-7405331-B2 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-07-29 US disclosed
US-7312250-B2 Fluorine-substituted alkyl phenol compounds and their uses UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-12-25 US disclosed
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-27 US disclosed
EP-1500641-A1 HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-01-26 EP disclosed
WO-2003077894-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-09-25 WO disclosed
US-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses IOWA RESEARCH FOUNDATION, UNIVERSITY OF 2003-09-18 US disclosed
JP-H09278854-A FLUORINATED ROSIN-MODIFIED PHENOLIC RESIN AND COATING COMPOSITION TOYO INK MFG CO LTD 1997-10-28 JP disclosed
US-4034022-A WETTING, EMULSIFYING, FOAMING, LEVELING, ANTISTAIN, CORROSION INHIBITION PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-07-05 US disclosed
US-4029722-A SURFACTANTS STABLE IN ALKALINE SOLUTIONS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-06-14 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-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses AFF4, AFF1, AFF2 GABRA1 3412/4885GABRB2 4004/4885TSHR 1138/4885
US-20080312339-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES AFF4, AFF1, AFF2 GABRA1 3412/4885GABRB2 4004/4885TSHR 1138/4885
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same HBB, AFF4, AFF2 GABRA1 463/4885GABRB2 314/4885TSHR 1513/4885

“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.