SCHEMBL3760004

SCHEMBL3760004

Cc1cc(F)ccc1-c1ccc(C(=O)O)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
S1PR4 O95977 1/20 0.39
AR P10275 1/20 0.38
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
MAPK14 Q16539 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
MCL1 Q07820 1/20 0.34
NOTUM Q6P988 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
YES1 P07947 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL3749724 0.84 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10S1PR4
SCHEMBL34469635 0.75 LMNA (0.40) KDM4EALDH1A1HPGDHSD17B10FFAR1
SCHEMBL3435550 0.74 CA9 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK14
SCHEMBL9672293 0.70 KEAP1 (0.52) KDM4EALDH1A1HPGDHSD17B10FFAR1
SCHEMBL3370216 0.69 BACE1 (0.46) KDM4EALDH1A1HPGDHSD17B10BACE1
SCHEMBL1663159 0.68 NAMPT (0.44) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL3743867 0.68 BCL2L1 (0.58) KDM4EALDH1A1HSD17B10MAPK14LMNA
SCHEMBL6871756 0.68 MYC (0.54) KDM4EALDH1A1FABP4FABP5MCL1
SCHEMBL25342451 0.68 P2RX7 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPK14
SCHEMBL14039912 0.68 PDE3B (0.44) FFAR1PPARGCA1CA2LMNA

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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR KDM4E 718/4885ALDH1A1 3391/4885HPGD 1748/4885

“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.