SCHEMBL6157434

SCHEMBL6157434

[CH2]C(C=C)c1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.55
FFAR1 O14842 2/20 0.55
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
IMPDH2 P12268 2/20 0.44
IMPDH1 P20839 1/20 0.44
CYP2A6 P11509 1/20 0.44
SRC P12931 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL17232879 0.84 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL11374722 0.81 GPR84 (0.51) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL29611508 0.81 GPR84 (0.51) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL9060404 0.81 GPR84 (0.51) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5642067 0.78 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL3750598 0.78 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL6888701 0.78 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5641546 0.78 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL14041262 0.78 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL13267637 0.78 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B

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 3 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

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 GPR84 3402/4885FFAR1 495/4885HTR2A 2912/4885

“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.