SCHEMBL15467482

SCHEMBL15467482

O=[C]c1c(C=O)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
POLB P06746 2/20 0.42
PTPN1 P18031 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2A6 P11509 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
HPRT1 P00492 1/20 0.38
CYP3A4 P08684 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL15427811 0.83 ERN1 (0.42) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL30439279 0.83 CA1 (0.47) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL7193571 0.83 CA1 (0.47) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL15428211 0.79 TDP1 (0.47) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL30134862 0.79 TDP1 (0.47) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL3249045 0.76 CYP1A2 (0.54) MEN1KMT2ACYP2A6ALDH1A1TDP1
SCHEMBL29521593 0.75 DNMT1 (0.48) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL7643518 0.75 DNMT1 (0.48) ERN1POLBPTPN1MEN1KMT2A
Acetic Acid SCHEMBL11404458 0.75 CYP1A2 (0.46) ERN1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL3441131 0.74 ALDH1A1 (0.46) MEN1KMT2ACYP2A6ALDH1A1TDP1

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-20140046086-A1 PROCESS FOR THE PREPARATION OF TAFLUPROST AND INTERMEDIATES THEREOF SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2014-02-13 US disclosed
WO-2014023256-A1 PROCESS FOR PREPARATION OF TAFLUPROST AND INTERMEDIATES THEREOF SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2014-02-13 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-20140046086-A1 PROCESS FOR THE PREPARATION OF TAFLUPROST AND INTERMEDIATES THEREOF PTGIS, PTGES, PTGES3 ERN1 1644/4885POLB 1686/4885PTPN1 3942/4885

“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.