SCHEMBL6159899

SCHEMBL6159899

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.56
ALDH1A1 P00352 2/20 0.53
PBRM1 Q86U86 1/20 0.53
ATM Q13315 1/20 0.53
ADAM17 P78536 1/20 0.50
CTNNB1 P35222 2/20 0.49
WNT3A P56704 2/20 0.49
NR4A2 P43354 2/20 0.49
MAPK1 P28482 1/20 0.49
CREBBP Q92793 1/20 0.49
PIM1 P11309 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
AHR P35869 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL897121 0.84 ALDH1A1 (0.56) GPR84ALDH1A1PBRM1ATMADAM17
SCHEMBL21228432 0.81 SLC6A2 (0.53) GPR84ALDH1A1PBRM1ATMADAM17
SCHEMBL5653872 0.80 GPR84 (0.64) GPR84ALDH1A1PBRM1ATMADAM17
SCHEMBL21441197 0.80 CTNNB1 (0.59) GPR84ALDH1A1PBRM1ATMADAM17
SCHEMBL28013222 0.79 GPR84 (0.62) GPR84ALDH1A1PBRM1ATMADAM17
SCHEMBL25145004 0.77 HTR2A (0.50) GPR84ALDH1A1PBRM1ATMADAM17
SCHEMBL21441406 0.77 CTNNB1 (0.65) GPR84ALDH1A1PBRM1ATMADAM17
SCHEMBL21441297 0.77 IGF1R (0.51) GPR84ALDH1A1PBRM1ATMADAM17
SCHEMBL13134166 0.77 PBRM1 (0.67) GPR84ALDH1A1PBRM1ATMADAM17
SCHEMBL4102435 0.77 GPR84 (0.60) GPR84ALDH1A1PBRM1ATMADAM17

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 3402/4885ALDH1A1 187/4885PBRM1 3846/4885

“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.