SCHEMBL2945280

SCHEMBL2945280

CCC=CCCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.52
EGLN3 Q9H6Z9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PRKCI P41743 1/20 0.42
LMNA P02545 1/20 0.41
QPCT Q16769 1/20 0.41

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
SCHEMBL2945279 1.00 TBXAS1 (0.52) TBXAS1EGLN3KDM4EALDH1A1PRKCI
SCHEMBL3310813 1.00 TBXAS1 (0.52) TBXAS1EGLN3KDM4EALDH1A1PRKCI
SCHEMBL13635784 0.89 TBXAS1 (0.56) TBXAS1EGLN3KDM4EALDH1A1PRKCI
SCHEMBL13639840 0.82 TBXAS1 (0.52) TBXAS1EGLN3KDM4EALDH1A1PRKCI
SCHEMBL2947596 0.80 TBXAS1 (0.51) TBXAS1EGLN3KDM4EALDH1A1QPCT
SCHEMBL10646269 0.80 TBXAS1 (0.51) TBXAS1EGLN3KDM4EALDH1A1QPCT
SCHEMBL2947594 0.80 TBXAS1 (0.51) TBXAS1EGLN3KDM4EALDH1A1QPCT
SCHEMBL28726885 0.78
SCHEMBL4429215 0.77 TBXAS1 (0.60) TBXAS1EGLN3ALDH1A1PRKCI
SCHEMBL11201930 0.77 TBXAS1 (0.55) TBXAS1EGLN3

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
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2139354-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008116339-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-02 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-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 TBXAS1 406/4885EGLN3 2068/4885KDM4E 1341/4885

“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.