SCHEMBL4024099

SCHEMBL4024099

C=CCC1(C(=O)O)CCCC1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL16116754 0.78 CYP1A2 (0.38) CYP1A2ALDH1A1
SCHEMBL22341263 0.77 CYP1A2 (0.37) CYP1A2
SCHEMBL3541280 0.77 CYP1A2 (0.37) CYP1A2ALDH1A1
SCHEMBL10408199 0.76 ABCC4 (0.32)
SCHEMBL17821216 0.76 CYP1A2 (0.32) CYP1A2MEN1KMT2AALDH1A1POLB
SCHEMBL10012908 0.75 MEN1 (0.32) MEN1KMT2AALDH1A1POLB
SCHEMBL10012906 0.75 MEN1 (0.32) MEN1KMT2AALDH1A1POLB
SCHEMBL10012912 0.75 MEN1 (0.32) MEN1KMT2AALDH1A1POLB
SCHEMBL987647 0.75 MEN1 (0.32) MEN1KMT2AALDH1A1POLB
SCHEMBL10013091 0.75 MEN1 (0.32) MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP claimed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US claimed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP claimed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 WO claimed
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP disclosed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US disclosed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP disclosed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 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-20090311403-A1 Method of Using Organic Compounds MGLL, GK, LIPC CYP1A2 1990/4885MEN1 1073/4885KMT2A 3062/4885

“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.