SCHEMBL4854006

SCHEMBL4854006

CCCc1ccc(-c2ccc(-c3cccs3)s2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.64
LTA4H P09960 2/20 0.61
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL4853338 1.00 DPP4 (0.64) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL4862372 0.98 LTA4H (0.62) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL2769963 0.87 DPP4 (0.57) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL2028518 0.87 DPP4 (0.57) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL14284941 0.87 DPP4 (0.57) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL18876409 0.86 LTA4H (0.57) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL2031590 0.85 DPP4 (0.68) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL21386863 0.85 DPP4 (0.68) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL833843 0.85 LTA4H (0.56) DPP4LTA4HALDH1A1KDM4ENPC1
SCHEMBL1333578 0.85 LTA4H (0.56) DPP4LTA4HALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915609-B2 Smectic liquid crystal compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-03-29 US disclosed
US-7915609-B2 Smectic liquid crystal compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-03-29 US disclosed
US-20100237327-A1 SMECTIC LIQUID CRYSTAL COMPOUND NAT. INSTIUTE OF ADV. INDUSTRIAL SCI. AND TECH. (JP) 2010-09-23 US disclosed
US-20100237327-A1 SMECTIC LIQUID CRYSTAL COMPOUND NAT. INSTIUTE OF ADV. INDUSTRIAL SCI. AND TECH. (JP) 2010-09-23 US disclosed
US-7405003-B2 Organic semiconductor material, organic semiconductor structure, and organic semiconductor device DAI NIPPON PRINTING CO., LTD. (JP) 2008-07-29 US disclosed
US-7405003-B2 Organic semiconductor material, organic semiconductor structure, and organic semiconductor device DAI NIPPON PRINTING CO., LTD. (JP) 2008-07-29 US disclosed
US-7405003-B2 Organic semiconductor material, organic semiconductor structure, and organic semiconductor device DAI NIPPON PRINTING CO., LTD. (JP) 2008-07-29 US disclosed
US-20060076554-A1 Organic semiconductor material, organic semiconductor structure, and organic semiconductor device DAI NIPPON PRINTING CO., LTD. (JP) 2006-04-13 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 (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-20100237327-A1 SMECTIC LIQUID CRYSTAL COMPOUND CNOT1, SLC43A1, CNOT9 DPP4 4218/4885LTA4H 3570/4885ALDH1A1 2353/4885

“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.