SCHEMBL4644161

SCHEMBL4644161

CC(C)c1cc(Br)cc(Br)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.78
GABRB1 P18505 5/20 0.78
CYP3A4 P08684 2/20 0.56
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
GABRB2 P47870 4/20 0.50
GABRA2 P47869 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ERN1 O75460 1/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
GSR P00390 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL3640323 0.88 GABRA1 (1.00) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL27919073 0.84 GABRA1 (0.56) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL4136739 0.84 GABRA1 (0.56) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL11475072 0.83 GABRA1 (0.54) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL6682827 0.80 GABRA1 (0.63) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL13997556 0.80 GABRA1 (0.75) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL7068142 0.79 GABRA1 (0.50) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL23063467 0.78 GABRA1 (0.54) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL9967745 0.78 GABRA1 (0.72) GABRA1GABRB1CYP3A4TSHRTDP1
SCHEMBL282221 0.78 GABRA1 (0.72) GABRA1GABRB1CYP3A4TSHRTDP1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994844-B1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING & MFG (US) 2002-07-31 EP claimed
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 US disclosed
EP-1244756-B2 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2008-08-20 EP disclosed
US-7335425-B2 High refractive index pressure-sensitive adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-02-26 US disclosed
US-20070264517-A1 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY 2007-11-15 US disclosed
US-7166686-B2 High refractive index pressure-sensitive adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-23 US disclosed
US-20050272949-A1 High refractive index pressure-sensitive adhesives 3M INNOVATIVE PROPERTIES COMPANY 2005-12-08 US disclosed
EP-1244756-B1 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2004-10-27 EP disclosed
US-20040091729-A1 High refractive index pressure-sensitive adhesives 3M INNOVATIVE PROPERTIES COMPANY 2004-05-13 US disclosed
US-6663978-B1 Polymer of an acrylic or methacrylic acid ester containing a substituted or an unsubstituted aromatic moiety 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
WO-2001012618-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed
US-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 US disclosed
EP-0994844-A1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-04-26 EP disclosed
WO-2000014050-A1 BROMINATED MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-16 WO disclosed
EP-0980398-A1 CHEMICAL COMPOSITION AND POLYMERS AND POLYMERIC MATERIALS DERIVED THEREFROM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-02-23 EP disclosed
EP-0980532-A1 OPTICAL PRODUCT PREPARED FROM HIGH INDEX OF REFRACTION BROMINATED MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-02-23 EP disclosed
US-5932626-A BRIGHTNESS PROMOTING FILM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-08-03 US disclosed
WO-1998050340-A1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 WO disclosed
WO-1998050442-A1 CHEMICAL COMPOSITION AND POLYMERS AND POLYMERIC MATERIALS DERIVED THEREFROM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 WO disclosed
WO-1998050805-A1 OPTICAL PRODUCT PREPARED FROM HIGH INDEX OF REFRACTION BROMINATED MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 WO 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 (2 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-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids ERG28, UGCG, DPM1 GABRA1 4267/4885GABRB1 4177/4885CYP3A4 3930/4885
US-20050272949-A1 High refractive index pressure-sensitive adhesives ICAM1, CDH1, EPCAM GABRA1 2138/4885GABRB1 3326/4885CYP3A4 4662/4885

“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.