SCHEMBL3924840

SCHEMBL3924840

Cc1ccc(C(=O)c2cc(O)cc(-c3cccc4[nH]ccc34)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
HPGDS O60760 7/20 0.43
PIK3CD O00329 5/20 0.42
PIK3CB P42338 4/20 0.42
PIM1 P11309 2/20 0.42
GSK3B P49841 2/20 0.42
ABL1 P00519 1/20 0.42
ASH1L Q9NR48 1/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CA P42336 1/20 0.41
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
FTO Q9C0B1 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL3931589 0.89 ASH1L (0.43) HSD17B1HSD17B2HPGDSPIK3CDPIK3CB
SCHEMBL3927169 0.87 PIK3CD (0.43) HSD17B1HSD17B2HPGDSPIK3CDPIK3CB
SCHEMBL3927131 0.87 ASH1L (0.44) HSD17B1HSD17B2HPGDSPIK3CDPIK3CB
SCHEMBL3936540 0.86 TUBB4A (0.43) HSD17B1HSD17B2HPGDSPIK3CDPIK3CB
SCHEMBL3928854 0.85 HPGDS (0.41) HSD17B1HSD17B2HPGDSPIK3CDPIK3CB
SCHEMBL4841899 0.85 HPGDS (0.42) HPGDSPIK3CDPIK3CBPIM1GSK3B
SCHEMBL3929341 0.84 PIK3CD (0.48) HPGDSPIK3CDPIK3CBPIM1GSK3B
SCHEMBL3928762 0.83 HPGDS (0.47) HPGDSPIK3CDPIK3CBPIM1GSK3B
SCHEMBL3929319 0.78 PIK3CD (0.49) HPGDSPIK3CDPIK3CBPIM1GSK3B
SCHEMBL3931618 0.77 FTO (0.46) HSD17B1HSD17B2HPGDSPIK3CDPIK3CB

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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US claimed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO claimed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US claimed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 HSD17B1 3613/4885HSD17B2 4222/4885HPGDS 2149/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 HSD17B1 3547/4885HSD17B2 4171/4885HPGDS 2109/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HSD17B1 2425/4885HSD17B2 3301/4885HPGDS 2387/4885

“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.