SCHEMBL9547844

SCHEMBL9547844

OCCc1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.60
CYP4A11 Q02928 1/20 0.60
S1PR1 P21453 2/20 0.55
PRKX P51817 1/20 0.55
ACVR1 Q04771 1/20 0.55
S1PR5 Q9H228 1/20 0.55
LTA4H P09960 1/20 0.53
EPHX2 P34913 1/20 0.53
ALOX5 P09917 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOB P27338 5/20 0.49
GSTP1 P09211 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL15876052 0.91 LTA4H (0.61) CYP4F2CYP4A11S1PR1PRKXACVR1
SCHEMBL695003 0.88 S1PR1 (0.57) CYP4F2CYP4A11S1PR1PRKXACVR1
SCHEMBL31464117 0.85 CYP4F2 (0.60) CYP4F2CYP4A11LTA4HEPHX2ALOX5
SCHEMBL3120528 0.84 CYP4F2 (0.53) CYP4F2CYP4A11S1PR1PRKXACVR1
SCHEMBL15876231 0.84 FFAR1 (0.62) S1PR1PRKXACVR1S1PR5
SCHEMBL5505756 0.83 S1PR1 (0.63) CYP4F2CYP4A11S1PR1PRKXACVR1
SCHEMBL8000947 0.83 CYP4F2 (0.62) CYP4F2CYP4A11LTA4HEPHX2ALOX5
SCHEMBL9547754 0.83 CYP4F2 (0.62) CYP4F2CYP4A11LTA4HEPHX2ALOX5
SCHEMBL5672926 0.83 S1PR1 (0.55) S1PR1PRKXACVR1S1PR5ALOX5
SCHEMBL20607853 0.82 CYP4F2 (0.60) CYP4F2CYP4A11LTA4HEPHX2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
CN-103796992-B Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2016-04-27 CN disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 EP disclosed
CN-103796992-A Guanidinobenzoic acid compound ASTELLAS PHARMA INC 2014-05-14 CN disclosed
EP-0288297-B1 OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4985590-A Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 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 (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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 CYP4F2 4093/4885CYP4A11 2549/4885S1PR1 4443/4885

“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.