SCHEMBL14901102

SCHEMBL14901102

CC[C@@H](O)COC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
TSHR P16473 3/20 0.38
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL14901101 1.00 MAPK1 (0.56) MAPK1TSHRKDM4EALDH1A1TDP1
SCHEMBL2609782 1.00 MAPK1 (0.56) MAPK1TSHRKDM4EALDH1A1TDP1
SCHEMBL20089291 0.91 MAPK1 (0.48) MAPK1TSHRKDM4EALDH1A1TDP1
SCHEMBL1982314 0.86 MAPK1 (0.65) MAPK1TSHRKDM4EALDH1A1TDP1
SCHEMBL6669573 0.83 MAPK1 (0.45) MAPK1TSHR
SCHEMBL18027553 0.82 MAPK1 (0.54) MAPK1KDM4EALDH1A1TDP1
SCHEMBL1927186 0.82 MAPK1 (0.54) MAPK1KDM4EALDH1A1TDP1
SCHEMBL18027532 0.82 MAPK1 (0.54) MAPK1KDM4EALDH1A1TDP1
SCHEMBL1927183 0.82 MAPK1 (0.54) MAPK1KDM4EALDH1A1TDP1
SCHEMBL14649738 0.82 MAPK1 (0.37) MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11773086-B2 Fungal modulators TRUSTEES OF BOSTON UNIVERSITY (US) 2023-10-03 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-20180111932-A1 NOVEL NAPHTHYRIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ARRHYTHMIA NOVARTIS AG (CH) 2018-04-26 US disclosed
US-9388112-B2 Bisphenol derivatives and their use as androgen receptor activity modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-12 US disclosed
US-9388112-B2 Bisphenol derivatives and their use as androgen receptor activity modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-12 US disclosed
US-20140248263-A1 BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-09-04 US disclosed
US-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 US disclosed
US-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 US disclosed
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 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 (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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 MAPK1 3668/4885TSHR 2922/4885KDM4E 502/4885
US-11773086-B2 Fungal modulators ABCB11, ABCB1, ABCC1 MAPK1 1871/4885TSHR 4863/4885KDM4E 3443/4885
US-20180111932-A1 NOVEL NAPHTHYRIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ARRHYTHMIA SCN1B, SCN3A, SCN5A MAPK1 1375/4885TSHR 1271/4885KDM4E 1689/4885
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE SHBG, KLK3, HSD17B11 MAPK1 3831/4885TSHR 2717/4885KDM4E 1393/4885
US-20140248263-A1 BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE AR, SHBG, ESRRA MAPK1 4052/4885TSHR 819/4885KDM4E 1402/4885
US-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS CYP19A1, AR, SHBG MAPK1 859/4885TSHR 642/4885KDM4E 2699/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 MAPK1 3668/4885TSHR 2922/4885KDM4E 502/4885

“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.