SCHEMBL1362096

SCHEMBL1362096

CC(=O)c1ccc(-c2[c]ccc(C(C)=O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 1/20 0.39
NPC1 O15118 1/20 0.39
CYP2A6 P11509 1/20 0.38
XDH P47989 1/20 0.38
POLB P06746 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PKM P14618 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL15821343 0.88 ALDH1A1 (0.43) MAPTSMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL8089868 0.86 MAPT (0.44) HSD17B1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL15819249 0.84 ALDH1A1 (0.44) MAPTL3MBTL1XDH
SCHEMBL15819518 0.84 SMN1; SMN2 (0.53) MAPTSMN1; SMN2HPGDRAB9AKMT2A
SCHEMBL15826426 0.82 HSD17B1 (0.32) HSD17B1MAPTSMN1; SMN2L3MBTL1
SCHEMBL15819482 0.80 MAPT (0.44) HSD17B1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL6611172 0.78 MAPT (0.57) HSD17B1MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL4803948 0.74 CES2 (0.47) MAPTSMN1; SMN2KMT2AKIF11XDH
SCHEMBL4064595 0.72 CYP2A6 (0.42) MAPTSMN1; SMN2HPGDRAB9AKMT2A
SCHEMBL6152607 0.72 MAPT (0.39) MAPTSMN1; SMN2HPGDRAB9AKMT2A

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
WO-2014100833-A1 BENZAMIDE COMPOUNDS AND RELATED METHODS OF USE NORTHWESTERN UNIVERSITY (US) 2014-06-26 WO disclosed
US-8067611-B2 Substituted 1-(thiazolyl)-and 1-(isothiazolyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-11-29 US disclosed
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-08-05 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-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS THRA, TSHR, DDT HSD17B1 1810/4885MAPT 4674/4885SMN1; SMN2 4604/4885

“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.