SCHEMBL3345889

SCHEMBL3345889

CCCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 2/20 0.53
CETP P11597 3/20 0.53
ELANE P08246 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7903242 1.00 MEN1 (0.55) MEN1KMT2ATSHRCETPELANE
SCHEMBL7917113 0.89 CYP3A4 (0.59) TSHRCETPCYP3A4ALDH1A1MAPK1
SCHEMBL4948490 0.89 CYP3A4 (0.59) TSHRCETPCYP3A4ALDH1A1MAPK1
SCHEMBL4948131 0.86 CETP (0.63) TSHRCETPCYP3A4
SCHEMBL4948692 0.86 CETP (0.63) TSHRCETPCYP3A4
SCHEMBL4948716 0.86 CETP (0.63) TSHRCETPCYP3A4
SCHEMBL4946336 0.86 CETP (0.63) TSHRCETPCYP3A4
SCHEMBL206609 0.86 TSHR (0.68) TSHRCETPELANEALDH1A1
SCHEMBL14051581 0.86 MEN1 (0.45) MEN1KMT2ATSHRCETPALDH1A1
SCHEMBL2365443 0.85 TSHR (0.57) TSHRCETPELANECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 US disclosed
WO-2010039474-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-08 WO disclosed
US-20080221070-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION 2008-09-11 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-20080221070-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH SHBG, ESRRA, ESRRG MEN1 1442/4885KMT2A 3881/4885TSHR 285/4885
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, RASGRP1 MEN1 68/4885KMT2A 3784/4885TSHR 2481/4885

“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.