SCHEMBL3787580

SCHEMBL3787580

CC(=O)c1c(N)cccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 4/20 0.45
BCAT2 O15382 1/20 0.44
FOLH1 Q04609 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CSF1R P07333 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
GSK3A P49840 1/20 0.42

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
SCHEMBL3789904 0.87 THRB (0.39) HSD17B10ALDH1A1MAPTKDM4ELMNA
SCHEMBL3790555 0.86 ALDH1A1 (0.54) HSD17B10ALDH1A1MAPTKDM4ELMNA
SCHEMBL11530828 0.86 SMN1; SMN2 (0.50) HSD17B10ALDH1A1MAPTKDM4ELMNA
SCHEMBL1535068 0.85 ALDH1A1 (0.56) HSD17B10ALDH1A1KMT2ABCAT2FOLH1
SCHEMBL31212993 0.85 ALDH1A1 (0.56) HSD17B10ALDH1A1KMT2ABCAT2FOLH1
SCHEMBL3786909 0.84 MAP4K4 (0.44) ALDH1A1MAPTKDM4ELMNAPKM
SCHEMBL1250167 0.83 BCAT2 (0.55) HSD17B10ALDH1A1MAPTKMT2ABCAT2
SCHEMBL12998049 0.81 ALDH1A1 (0.59) HSD17B10ALDH1A1MAPTKDM4ELMNA
SCHEMBL8085529 0.81 MAPT (0.47) HSD17B10ALDH1A1MAPTKDM4ELMNA
Acetic Acid SCHEMBL5748782 0.80 ALDH1A1 (0.74) HSD17B10ALDH1A1MAPTKDM4ELMNA

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
US-11466021-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-10-11 US disclosed
EP-3548486-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
US-20200199138-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-25 US disclosed
WO-2018104194-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-06-14 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20200199138-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM HSD17B10 3360/4885ALDH1A1 441/4885MAPT 753/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 HSD17B10 1100/4885ALDH1A1 4339/4885MAPT 3312/4885
US-11466021-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM HSD17B10 3360/4885ALDH1A1 441/4885MAPT 753/4885

“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.