SCHEMBL6160620

SCHEMBL6160620

[CH]=C(C)c1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.67
GPR84 Q9NQS5 1/20 0.60
ALDH1A1 P00352 2/20 0.56
ATM Q13315 2/20 0.56
NR4A2 P43354 2/20 0.56
CREBBP Q92793 1/20 0.56
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.51
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
MEN1 O00255 1/20 0.49
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
ADAM17 P78536 1/20 0.49
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7372877 0.83 PBRM1 (0.71) PBRM1GPR84ALDH1A1ATMNR4A2
SCHEMBL17232878 0.83 PBRM1 (0.71) PBRM1GPR84ALDH1A1ATMNR4A2
SCHEMBL11981364 0.80 PBRM1 (0.67) PBRM1GPR84ALDH1A1ATMNR4A2
SCHEMBL50742 0.80 PBRM1 (1.00) PBRM1GPR84ALDH1A1ATMNR4A2
SCHEMBL13134166 0.80 PBRM1 (0.67) PBRM1GPR84ALDH1A1ATMNR4A2
SCHEMBL29531272 0.80 PBRM1 (1.00) PBRM1GPR84ALDH1A1ATMNR4A2
SCHEMBL27320955 0.80 PBRM1 (0.67) PBRM1GPR84ALDH1A1ATMNR4A2
SCHEMBL12441827 0.80 PBRM1 (0.67) PBRM1GPR84ALDH1A1ATMNR4A2
SCHEMBL21246198 0.80 PBRM1 (0.67) PBRM1GPR84ALDH1A1ATMNR4A2
SCHEMBL6158694 0.79 PBRM1 (0.56) PBRM1GPR84ALDH1A1ATMNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP disclosed
WO-2001019791-A2 3-VINYLPYRROLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS MORPHOCHEM AG (DE) 2001-03-22 WO disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA PBRM1 3846/4885GPR84 3402/4885ALDH1A1 187/4885

“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.