SCHEMBL2380561

SCHEMBL2380561

COc1cccc(Oc2cc(C)c(C(C)=O)c(C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.54
MTNR1A P48039 6/20 0.54
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ACACB O00763 1/20 0.46
PGR P06401 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL12248607 0.85 LMNA (0.54) SMN1; SMN2LMNA
SCHEMBL2381337 0.85 LMNA (0.52) MTNR1BMTNR1APOLBSMN1; SMN2CES2
SCHEMBL2380185 0.83 AKR1C3 (0.46) SMN1; SMN2
SCHEMBL2381387 0.82 KDM4E (0.47) MTNR1BMTNR1AKDM4EPOLBSMN1; SMN2
SCHEMBL14992586 0.81 HPGD (0.47) SMN1; SMN2
Acetic Acid SCHEMBL31248068 0.81 MTNR1B (0.65) MTNR1BMTNR1AKDM4EPOLBSMN1; SMN2
SCHEMBL2383124 0.80 CYP3A4 (0.58) KDM4EPOLBSMN1; SMN2LMNA
SCHEMBL30053231 0.76 SMN1; SMN2 (0.72) MTNR1BMTNR1AKDM4EPOLBSMN1; SMN2
SCHEMBL29929943 0.76 SMN1; SMN2 (0.72) MTNR1BMTNR1AKDM4EPOLBSMN1; SMN2
SCHEMBL13167638 0.76 SMN1; SMN2 (0.72) MTNR1BMTNR1AKDM4EPOLBSMN1; SMN2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11071736-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION 2021-07-27 US disclosed
US-10588909-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2020-03-17 US disclosed
EP-2785714-B1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2018-11-21 EP disclosed
US-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR DEVELOPMENT CENTER OF BIOTECHNOLOGY (TW) 2018-11-08 US disclosed
US-9409902-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2016-08-09 US disclosed
US-9409902-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2016-08-09 US disclosed
US-9409902-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2016-08-09 US disclosed
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2015-09-10 US disclosed
EP-2547676-B1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS INC (TW) 2015-07-29 EP disclosed
US-8999983-B2 Modulators of Hec1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2015-04-07 US disclosed
US-8946268-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS, INC. (TW) 2015-02-03 US disclosed
EP-2785714-A1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR Taivex Therapeutics Corporation (TW) 2014-10-08 EP disclosed
US-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-07-25 US disclosed
WO-2013082324-A1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORPORATION (TW) 2013-06-06 WO disclosed
EP-2547676-A2 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR Taivex Therapeutics Inc. (TW) 2013-01-23 EP disclosed
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2011-09-22 US disclosed
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2011-09-22 US disclosed
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2011-09-22 US disclosed
WO-2011115998-A2 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS INC. (CN) 2011-09-22 WO disclosed
WO-2011115998-A2 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS INC. (CN) 2011-09-22 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 (6 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-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 MTNR1B 3592/4885MTNR1A 4348/4885KDM4E 2748/4885
US-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 MTNR1B 3592/4885MTNR1A 4348/4885KDM4E 2748/4885
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 MTNR1B 3592/4885MTNR1A 4348/4885KDM4E 2748/4885
US-10588909-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 MTNR1B 3592/4885MTNR1A 4348/4885KDM4E 2748/4885
US-11071736-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 MTNR1B 3592/4885MTNR1A 4348/4885KDM4E 2748/4885
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor WEE1, WEE2, NEK11 MTNR1B 3653/4885MTNR1A 4422/4885KDM4E 2685/4885

“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.