SCHEMBL6159898

SCHEMBL6159898

[CH2]CC=Cc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
IMPDH2 P12268 1/20 0.55
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 4/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
LMNA P02545 5/20 0.49
USP2 O75604 3/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 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
SCHEMBL10489040 0.82 CYP2A6 (0.69) CYP2A6IMPDH2MEN1KMT2ARAB9A
SCHEMBL21306521 0.82 MEN1 (0.56) CYP2A6IMPDH2MEN1KMT2ARAB9A
SCHEMBL6159319 0.82 MEN1 (0.56) CYP2A6IMPDH2MEN1KMT2ARAB9A
SCHEMBL3435669 0.82 CYP2A6 (0.55) CYP2A6IMPDH2MEN1KMT2ARAB9A
SCHEMBL12425727 0.82 CYP2A6 (0.55) CYP2A6IMPDH2MEN1KMT2ARAB9A
SCHEMBL256668 0.82 MEN1 (0.56) CYP2A6IMPDH2MEN1KMT2ARAB9A
SCHEMBL28550147 0.81 MEN1 (0.55) CYP2A6IMPDH2MEN1KMT2ARAB9A
SCHEMBL13726273 0.79 CYP2A6 (0.51) CYP2A6IMPDH2MEN1KMT2ARAB9A
SCHEMBL3697106 0.77 KMT2A (0.51) CYP2A6IMPDH2MEN1KMT2ARAB9A
SCHEMBL3697104 0.77 KMT2A (0.51) CYP2A6IMPDH2MEN1KMT2ARAB9A

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 CYP2A6 296/4885IMPDH2 863/4885MEN1 4327/4885

“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.