SCHEMBL14746103

SCHEMBL14746103

CCc1c(O)cc(=O)[nH]c1-c1cc2cc(F)c(C)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.35
KDM4E B2RXH2 7/20 0.33
ALDH1A1 P00352 5/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HSD17B10 Q99714 6/20 0.32
TSHR P16473 3/20 0.32
HPGD P15428 2/20 0.32
FFAR1 O14842 1/20 0.31
PPARG P37231 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL14744718 0.85 DAO (0.38) DAOKDM4EALDH1A1HSD17B10HPGD
SCHEMBL14744817 0.78 HSD17B10 (0.33) DAOKDM4EALDH1A1HSD17B10TSHR
SCHEMBL14745124 0.75 DAO (0.33) DAOKDM4EALDH1A1CACNA1BAPBA1
SCHEMBL16428436 0.75 CA2 (0.43) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL14745749 0.68 BRD4 (0.35) DAOKDM4EALDH1A1HSD17B10TSHR
SCHEMBL16428580 0.66 CYP19A1 (0.45) FFAR1
SCHEMBL6024645 0.66 KDM4E (0.43) KDM4EALDH1A1CACNA1BAPBA1HSD17B10
SCHEMBL16568387 0.64 PLAT (0.33) POLB
SCHEMBL16567913 0.64 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL16736759 0.63 MCL1 (0.44) KDM4EALDH1A1CACNA1BAPBA1HSD17B10

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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 (1 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP DAO 558/4885KDM4E 4305/4885ALDH1A1 3792/4885

“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.