SCHEMBL3348688

SCHEMBL3348688

CC(C)(/C=C/C(=O)O)COC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.32
CREBBP Q92793 2/20 0.31
EP300 Q09472 1/20 0.30
MGLL Q99685 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
SCHEMBL3348695 1.00 MEN1 (0.40) MEN1KMT2APTPN1CREBBPEP300
SCHEMBL2301912 0.84 MEN1 (0.34) MEN1KMT2APTPN1CREBBPMGLL
SCHEMBL2301907 0.84 MEN1 (0.34) MEN1KMT2APTPN1CREBBPMGLL
SCHEMBL2141379 0.83 MEN1 (0.49) MEN1KMT2A
SCHEMBL2141382 0.83 MEN1 (0.49) MEN1KMT2A
SCHEMBL11066833 0.79 USP2 (0.40) MEN1KMT2A
SCHEMBL11066878 0.79 USP2 (0.40) MEN1KMT2A
SCHEMBL939342 0.79 MEN1 (0.36) MEN1KMT2A
SCHEMBL20118725 0.77 MEN1 (0.44) MEN1KMT2ACREBBPEP300
SCHEMBL1114731 0.77 MEN1 (0.44) MEN1KMT2ACREBBPEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338141-A1 HIV INTEGRASE INHIBITORS ISAACS RICHARD C (US) 2013-12-19 US disclosed
US-8513234-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
WO-2010042391-A2 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed
WO-2010042392-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2010-04-15 WO disclosed
US-20100087419-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-08 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 (2 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-20130338141-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A MEN1 3763/4885KMT2A 1215/4885PTPN1 3700/4885
US-20100087419-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A MEN1 3763/4885KMT2A 1215/4885PTPN1 3700/4885

“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.