SCHEMBL1930952

SCHEMBL1930952

[c]1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.55
TSHR P16473 1/20 0.55
GSTP1 P09211 1/20 0.50
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
MAOA P21397 1/20 0.48
NISCH Q9Y2I1 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SCN4A P35499 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TLR8 Q9NR97 1/20 0.43
ERBB2 P04626 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
SOS1 Q07889 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL1283050 0.91 LTA4H (0.48) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL8535186 0.88 LTA4H (0.63) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL10839908 0.85 ALDH1A1 (0.39) LTA4HTSHRGSTP1NR1H2BAX
Water SCHEMBL28744175 0.85 LTA4H (0.67) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL49434 0.85 LTA4H (0.67) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL2860844 0.85 LTA4H (0.75) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL197414 0.85 LTA4H (0.75) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL6406035 0.85 LTA4H (0.75) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL6099009 0.84 FFAR4 (0.48) LTA4HTSHRGSTP1
SCHEMBL28807910 0.83 LTA4H (0.63) LTA4HTSHRGSTP1NR1H2BAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US claimed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US claimed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed
EP-2525795-B1 METHODS AND COMPOSITIONS FOR IMPROVED NERVE CONDUCTION VELOCITY SPINIFEX PHARM PTY LTD (AU) 2015-10-21 EP disclosed
US-9095587-B2 Methods and compositions for improved nerve conduction velocity SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2015-08-04 US disclosed
EP-2019106-B1 (Thio)Phenoxy Phenyl Silane Composition And Method For Making Same ROHM & HAAS (US) 2013-11-27 EP disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
CN-1374995-A Fluorescent maleimides and uses thereof CIBA SC HOLDING AG (CH) 2002-10-16 CN disclosed
EP-1216285-A1 FLUORESCENT MALEIMIDES AND USES THEREOF Ciba SC Holding AG (CH) 2002-06-26 EP disclosed
WO-2001019939-A1 FLUORESCENT MALEIMIDES AND USES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 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 (4 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 LTA4H 650/4885TSHR 478/4885GSTP1 4686/4885
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 LTA4H 983/4885TSHR 542/4885GSTP1 1281/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 LTA4H 586/4885TSHR 867/4885GSTP1 3251/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO LTA4H 1371/4885TSHR 3234/4885GSTP1 2354/4885

“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.