SCHEMBL2383124

SCHEMBL2383124

COc1cc(C)c(C(C)=O)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
HPGD P15428 3/20 0.58
MAPK1 P28482 3/20 0.55
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.42
G6PD P11413 1/20 0.42

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
SCHEMBL30916607 0.88 CYP3A4 (0.71) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL4263528 0.88 CYP3A4 (0.71) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL16018016 0.88 CYP3A4 (0.68) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL2381337 0.85 LMNA (0.52) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL484746 0.82 KMT2A (0.64) CYP3A4HPGDMAPK1SMN1; SMN2KMT2A
SCHEMBL2380561 0.80 MTNR1B (0.54) SMN1; SMN2POLBLMNAKDM4E
SCHEMBL7123880 0.80 CYP3A4 (0.56) CYP3A4HPGDSMN1; SMN2KMT2APOLB
Hydrochloric Acid SCHEMBL939484 0.80 KMT2A (0.62) CYP3A4HPGDMAPK1SMN1; SMN2KMT2A
SCHEMBL11067587 0.80 CYP3A4 (0.79) CYP3A4HPGDMAPK1KMT2APOLB
SCHEMBL939482 0.80 CYP3A4 (0.56) CYP3A4HPGDMAPK1USP2SMN1; 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 26 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-9422275-B2 Small molecule modifiers of the HEC1-NEK2 interaction in G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-23 US disclosed
US-9409902-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2016-08-09 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 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
EP-2547676-B1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS INC (TW) 2015-07-29 EP 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
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US 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 (7 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 CYP3A4 3983/4885HPGD 2405/4885MAPK1 1556/4885
US-20130190312-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 CYP3A4 3983/4885HPGD 2405/4885MAPK1 1556/4885
US-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 CYP3A4 3983/4885HPGD 2405/4885MAPK1 1556/4885
US-10588909-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 CYP3A4 3983/4885HPGD 2405/4885MAPK1 1556/4885
US-11071736-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 CYP3A4 3983/4885HPGD 2405/4885MAPK1 1556/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 CYP3A4 2935/4885HPGD 3092/4885MAPK1 1656/4885
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor WEE1, WEE2, NEK11 CYP3A4 3834/4885HPGD 2722/4885MAPK1 1584/4885

“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.