SCHEMBL656028

SCHEMBL656028

O=C(CCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
HIF1A Q16665 1/20 0.57
L3MBTL1 Q9Y468 4/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.54
PDPK1 O15530 1/20 0.54
GPR84 Q9NQS5 2/20 0.54
MMP12 P39900 1/20 0.53
CNR1 P21554 1/20 0.52
CES1 P23141 2/20 0.51
HSD11B1 P28845 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PTPN1 P18031 1/20 0.50
GSK3B P49841 1/20 0.50

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
SCHEMBL24599291 0.92 FFAR1 (0.69) FFAR1SMN1; SMN2RAB9ALMNACYP1A2
SCHEMBL3078714 0.90 L3MBTL1 (0.68) SMN1; SMN2RAB9ALMNAL3MBTL1MAPT
SCHEMBL659686 0.90 PDPK1 (0.64) RAB9ALMNAL3MBTL1MAPTHPGD
SCHEMBL657122 0.88 FFAR1 (0.69) FFAR1SMN1; SMN2RAB9ALMNACYP1A2
SCHEMBL11123550 0.88 GPR84 (0.59) SMN1; SMN2RAB9ACYP1A2L3MBTL1MAPT
SCHEMBL17451382 0.82 FFAR1 (0.53) FFAR1CYP1A2L3MBTL1MAPTPDPK1
SCHEMBL17451364 0.82 FFAR1 (0.53) FFAR1CYP1A2L3MBTL1MAPTPDPK1
SCHEMBL11431321 0.81 NPC1 (0.69) SMN1; SMN2RAB9ALMNACYP1A2L3MBTL1
SCHEMBL28650296 0.81 RAB9A (0.82) FFAR1SMN1; SMN2RAB9ALMNACYP1A2
SCHEMBL657765 0.81 PDPK1 (0.84) FFAR1L3MBTL1MAPTPDPK1MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 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 (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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB FFAR1 4188/4885SMN1; SMN2 4389/4885RAB9A 2902/4885

“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.