SCHEMBL17735451

SCHEMBL17735451

O=C(CCNC(=O)C(F)(F)F)c1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CTNNB1 P35222 1/20 0.45
P2RX1 P51575 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
PARP1 P09874 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL8790758 0.84 CTNNB1 (0.48) KDM4ECTNNB1PARP1SMN1; SMN2GAA
SCHEMBL237028 0.84 L3MBTL1 (0.49) KDM4EALDH1A1PARP1MEN1KMT2A
SCHEMBL13282769 0.81 ALDH1A1 (0.44) KDM4EALDH1A1P2RX1EGLN2CA12
SCHEMBL10431600 0.76 CTNNB1 (0.50) KDM4EALDH1A1CTNNB1P2RX1EGLN2
SCHEMBL2166736 0.76 NQO2 (0.56) KDM4EALDH1A1CTNNB1EGLN2CA1
SCHEMBL11768399 0.76 CA12 (0.52) KDM4EALDH1A1CTNNB1P2RX1EGLN2
SCHEMBL7667657 0.76 SPR (0.57) CA1CA2CA9MTNR1AMTNR1B
SCHEMBL19380935 0.74 TDP1 (0.55) KDM4EALDH1A1CA12CA2CA6
SCHEMBL10635884 0.74 CTNNB1 (0.48) KDM4EALDH1A1CTNNB1P2RX1EGLN2
SCHEMBL10636256 0.73 CTNNB1 (0.47) KDM4EALDH1A1CTNNB1CA12CA1

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-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-12 US disclosed
US-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-12 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-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1C, ADH1A, ADH5 KDM4E 3225/4885ALDH1A1 82/4885CTNNB1 1898/4885

“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.