SCHEMBL12415510

SCHEMBL12415510

C=CC1CC(C=C)C2C(=O)N(COCCC)C(=O)C12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12415487 0.79 ALDH1A1 (0.37) ALDH1A1POLBPKMCTDSP1TDP1
SCHEMBL12415479 0.79 ALDH1A1 (0.36) ALDH1A1POLBPKMCTDSP1TDP1
SCHEMBL12415484 0.76 SMN1; SMN2 (0.49) ALDH1A1
SCHEMBL12415507 0.76 ALDH1A1 (0.35) ALDH1A1PKMCYP1A2CYP3A4CYP2C19
SCHEMBL12415489 0.75 CNR2 (0.48) ALDH1A1
SCHEMBL18098028 0.74 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL12415494 0.72 ALDH1A1 (0.36) ALDH1A1POLBPKMCTDSP1TDP1
SCHEMBL15369556 0.72 LMNA (0.30)
SCHEMBL20313806 0.71 ALDH1A1 (0.35) ALDH1A1POLBPKMMAPTCYP1A2
SCHEMBL12415486 0.71 PIK3CD (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080984-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNA SCITECH CO., LTD. (CN) 2014-03-20 US disclosed
US-20110172381-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNA SCITECH CO., LTD. (CN) 2011-07-14 US 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-20110172381-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS RCSD1, RRP12, TIAM1 ALDH1A1 3240/4885POLB 1605/4885PKM 75/4885

“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.