SCHEMBL177359

SCHEMBL177359

CCCCOc1cccc(OBOc2cccc(OCCCC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
LTA4H P09960 2/20 0.52
GPBAR1 Q8TDU6 2/20 0.49
PLA2G4B P0C869 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
SMPD1 P17405 2/20 0.44

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
SCHEMBL2276430 0.91 KMT2A (0.53) TSHRGPBAR1CYSLTR1CYP1A2CYP2C19
SCHEMBL4397448 0.88 TSHR (0.63) TSHRLTA4HGPBAR1PLA2G4BCYSLTR2
SCHEMBL12246312 0.86 PLA2G4B (0.50) TSHRLTA4HGPBAR1PLA2G4BCYSLTR2
1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 0.84 TSHR (0.59) TSHRLTA4HGPBAR1PLA2G4BCYSLTR2
SCHEMBL23583 0.82 TP53 (0.57) TSHRLTA4HCYP1A2CYP2C19KMT2A
SCHEMBL9487103 0.82 LTA4H (0.68) TSHRLTA4HGPBAR1PLA2G4BCYSLTR2
1-Butyloxy-3-Ethoxybenzene SCHEMBL3459049 0.82 MAPK1 (0.62) TSHRLTA4HGPBAR1PLA2G4BCYSLTR2
SCHEMBL11663051 0.82 TSHR (0.72) TSHRLTA4HGPBAR1PLA2G4BCYSLTR2
SCHEMBL1018667 0.82 LTA4H (0.55) TSHRLTA4HCYP1A2CYP2C19CYP19A1
1-Butyloxy-3-Methoxybenzene SCHEMBL1071738 0.81 MAPK1 (0.61) TSHRLTA4HCYP1A2CYP2C19CYP2C9

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-2566847-B1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS ICOZEN THERAPEUTICS PVT LTD (IN) 2018-11-07 EP disclosed
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8629125-B2 Inhibitors of fatty acid amide hydrolase Infinty Pharmaceuticals, Inc. (US) 2014-01-14 US disclosed
EP-2566847-A1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS Icozen Therapeutics Pvt. Ltd. (IN) 2013-03-13 EP disclosed
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-8349814-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
EP-2073816-A2 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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 (7 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ TSHR 3503/4885LTA4H 1703/4885GPBAR1 1057/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TSHR 2421/4885LTA4H 6/4885GPBAR1 150/4885
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR TSHR 4789/4885LTA4H 244/4885GPBAR1 1212/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 TSHR 2159/4885LTA4H 7/4885GPBAR1 220/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE TSHR 3409/4885LTA4H 1580/4885GPBAR1 921/4885
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TSHR 2421/4885LTA4H 6/4885GPBAR1 150/4885
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TSHR 2421/4885LTA4H 6/4885GPBAR1 150/4885

“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.