SCHEMBL84113

SCHEMBL84113

CC(C)c1ccc(F)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.40
TYR P14679 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ERN1 O75460 2/20 0.38
PTPN1 P18031 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
EIF4A3 P38919 1/20 0.35

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
SCHEMBL8830136 0.84 TYR (0.43) KDM4EALDH1A1RECQLTYRHSP90AA1
SCHEMBL2266518 0.82 KDM4E (0.40) KDM4EALDH1A1ERN1PTPN1CES2
SCHEMBL16953682 0.80 RECQL (0.40) RECQLCES2CES1EIF4A3
SCHEMBL16959712 0.80 RECQL (0.36) RECQLCES2CES1EIF4A3
SCHEMBL23244733 0.79 ERN1 (0.39) KDM4EALDH1A1ERN1PTPN1CES2
SCHEMBL10338935 0.78 LMNA (0.50) KDM4EALDH1A1TYRERN1
SCHEMBL605235 0.78 TYR (0.58) KDM4EALDH1A1TYRHSP90AA1HSP90AB1
SCHEMBL29724084 0.78 LMNA (0.50) KDM4EALDH1A1TYRERN1
SCHEMBL29818656 0.78 TYR (0.48) KDM4EALDH1A1TYRHSP90AA1HSP90AB1
SCHEMBL3117644 0.78 TYR (0.48) KDM4EALDH1A1TYRHSP90AA1HSP90AB1

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-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG SHANGHAI ZHEYE BIOTECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (3 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-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG TYR, APC, TP53 KDM4E 1550/4885ALDH1A1 3494/4885RECQL 4617/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS KDM4E 3041/4885ALDH1A1 3257/4885RECQL 1259/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS KDM4E 2526/4885ALDH1A1 2358/4885RECQL 1279/4885

“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.