SCHEMBL13291978

SCHEMBL13291978

C[C@H]1Cc2ccc(-c3ccco3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.48
PRMT6 Q96LA8 1/20 0.43
SRD5A1 P18405 2/20 0.43
TAAR1 Q96RJ0 2/20 0.42
KEAP1 Q14145 1/20 0.41
ALOX5 P09917 1/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
ERN1 O75460 1/20 0.40
CYP2C9 P11712 1/20 0.39
PGR P06401 1/20 0.39
SLC6A4 P31645 1/20 0.38
FLT3 P36888 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
SCHEMBL3239081 0.83 TDP2 (0.48) TDP2PRMT6SRD5A1TAAR1KEAP1
SCHEMBL1012313 0.74 MAOA (0.45) TDP2PRMT6SRD5A1ALOX5HSD17B10
SCHEMBL3237621 0.72 EPHX2 (0.46) TDP2ALDH1A1SLC6A4NPC1RAB9A
SCHEMBL13291985 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8031039 0.72 MAOA (0.49) TDP2PRMT6SRD5A1ALOX5RECQL
SCHEMBL13291980 0.71 ERN1 (0.38) RECQLHSD17B10CYP2D6ALDH1A1ALOX15
SCHEMBL1010669 0.71 MAOA (0.45) TDP2SRD5A1ALOX5RECQLHSD17B10
SCHEMBL394300 0.69 TAAR1 (0.76) TAAR1KEAP1RECQLHSD17B10TDP1
SCHEMBL26259745 0.68 PGR (0.62) TDP2PRMT6TAAR1KEAP1RECQL
SCHEMBL11064449 0.67 PRMT6 (0.54) PRMT6TAAR1KEAP1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
US-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 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-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 TDP2 3640/4885PRMT6 2951/4885SRD5A1 942/4885

“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.