SCHEMBL16682483

SCHEMBL16682483

Cc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2C)cc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 5/20 0.77
▸ MEN1 O00255 9/20 0.64
▸ KMT2A Q03164 9/20 0.64
▸ CYP3A4 P08684 7/20 0.64
▸ KDM4E B2RXH2 7/20 0.64
▸ CYP2C9 P11712 6/20 0.64
▸ CYP1A2 P05177 6/20 0.64
▸ HSD17B10 Q99714 6/20 0.64
▸ MAPT P10636 6/20 0.64
▸ POLB P06746 6/20 0.64
▸ RECQL P46063 6/20 0.64
▸ ALOX15 P16050 5/20 0.64
▸ APP P05067 5/20 0.64
▸ XDH P47989 5/20 0.64
▸ FTO Q9C0B1 5/20 0.64
▸ CYP2D6 P10635 5/20 0.64
▸ CYP1A1 P04798 5/20 0.64
▸ CYP1B1 Q16678 5/20 0.64
▸ APEX1 P27695 5/20 0.64
▸ PIM1 P11309 4/20 0.64

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
SCHEMBL13552041 0.93 MEN1 (0.76) POLHMEN1KMT2ACYP3A4KDM4E
SCHEMBL15197351 0.90 MEN1 (0.81) POLHMEN1KMT2ACYP3A4KDM4E
SCHEMBL824468 0.87 POLH (1.00) POLHMEN1KMT2ACYP3A4KDM4E
SCHEMBL6140182 0.87 POLH (0.80) POLHMEN1KMT2ACYP3A4KDM4E
SCHEMBL30819258 0.87 POLH (0.80) POLHMEN1KMT2ACYP3A4KDM4E
SCHEMBL13776268 0.86 POLH (0.82) POLHMEN1KMT2ACYP3A4KDM4E
SCHEMBL12636895 0.85 CYP3A4 (0.74) POLHMEN1KMT2ACYP3A4KDM4E
SCHEMBL4649105 0.84 ABCB1 (0.70) POLHMEN1KMT2ACYP3A4KDM4E
SCHEMBL9733297 0.83 ABCB1 (0.76) POLHMEN1KMT2ACYP3A4KDM4E
SCHEMBL13056253 0.83 POLH (0.78) POLHMEN1KMT2ACYP3A4KDM4E

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-9629863-B2 CDK5 inhibitors and therapeutic uses thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-04-25 — — US disclosed
US-20150119348-A1 CDK5 Inhibitors and Therapeutic Uses Thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-04-30 — — 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-20150119348-A1 CDK5 Inhibitors and Therapeutic Uses Thereof CDK5, CDK3, CDKL1 POLH 2889/4885MEN1 4004/4885KMT2A 540/4885

“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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