SCHEMBL15699871

SCHEMBL15699871

C/C=C/C(=O)c1oc2ccccc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ NQO1 P15559 5/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ VKORC1 Q9BQB6 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL15699911 1.00 CA12 (0.46) CA12CA9KDM4ENQO1KMT2A
SCHEMBL11393520 0.78 CA12 (0.62) CA12CA9KDM4ENQO1KMT2A
SCHEMBL647309 0.75 KMT2A (0.51) CA12CA9KDM4ENQO1KMT2A
SCHEMBL29502948 0.75 KMT2A (0.51) CA12CA9KDM4ENQO1KMT2A
SCHEMBL1490754 0.74 KDM4E (0.49) CA12CA9KDM4ENQO1KMT2A
SCHEMBL650804 0.74 ALDH1A1 (0.54) CA12CA9KDM4ENQO1KMT2A
SCHEMBL20622603 0.74 KDM4E (0.48) CA12CA9KDM4EKMT2AMAPT
SCHEMBL9083963 0.73 KDM4E (0.69) CA12CA9KDM4ENQO1KMT2A
SCHEMBL15700000 0.72 KDM4E (0.42) CA12CA9KDM4EKMT2AMAPT
SCHEMBL4604605 0.71 MAPT (0.68) KDM4EKMT2AMAPTMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135359-A1 METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES MARTINEAU LOUIS C (CA) 2014-05-15 — — 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-20140135359-A1 METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES UQCRC2, UQCRC1, TIMM50 CA12 2664/4885CA9 2653/4885KDM4E 4121/4885

“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.

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