SCHEMBL3784498

SCHEMBL3784498

CCCCOc1cc(Cl)cc(OCCCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 1/20 0.50
PLA2G2A P14555 2/20 0.47
LTA4H P09960 4/20 0.45
AHR P35869 1/20 0.44
NR5A1 Q13285 1/20 0.44
THRB P10828 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL8297095 0.95 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3785064 0.88 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL2759077 0.88 PLA2G2A (0.55) RAB9APLA2G2ALTA4HAHRNR5A1
SCHEMBL16959945 0.88 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL20556335 0.87 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL16959941 0.86 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL3785301 0.86 TSHR (0.49) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL26986905 0.86 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL1685430 0.84 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL16958672 0.83 PLA2G2A (0.46) MAPTNPC1RAB9ASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984324-B1 MANDELIC HYDRAZIDES MERCK PATENT GMBH (DE) 2011-05-18 EP disclosed
US-7776920-B2 Mandelic hydrazides MERCK PATENT GMBH (DE) 2010-08-17 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20090221712-A1 MANDELIC HYDRAZIDES MERCK PATENT GESELLSCHAFT (DE) 2009-09-03 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2007093264-A1 MANDELIC HYDRAZIDES MERCK PATENT GMBH (DE) 2007-08-23 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 (2 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-20090221712-A1 MANDELIC HYDRAZIDES HK1, GLS, AGK MAPT 4205/4885NPC1 1209/4885RAB9A 1450/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAPT 3312/4885NPC1 724/4885RAB9A 1357/4885

“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.