SCHEMBL18959720

SCHEMBL18959720

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nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
TSHR P16473 2/20 0.32
LAP3 P28838 3/20 0.32
ANPEP P15144 3/20 0.31
ERAP1 Q9NZ08 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CPA1 P15085 1/20 0.30

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
SCHEMBL18959710 1.00 TDP1 (0.50) TDP1MAPK1HSD17B10CYP19A1MAPT
SCHEMBL9413357 0.84 TDP1 (0.35) TDP1RNPEPSLC7A5LAP3ANPEP
SCHEMBL18959709 0.80 ALDH1A1 (0.39) TDP1MAPK1RNPEPSLC7A5TSHR
SCHEMBL12039755 0.80 ALDH1A1 (0.39) TDP1MAPK1RNPEPSLC7A5TSHR
SCHEMBL8343405 0.80 TDP1 (0.33) TDP1RNPEPSLC7A5LAP3
SCHEMBL9789503 0.79
SCHEMBL4623780 0.78 USP2 (0.35) TDP1MAPK1LMNATSHRALDH1A1
SCHEMBL22025331 0.77 TDP1 (0.31) TDP1
SCHEMBL23248659 0.76
SCHEMBL7612087 0.76 TDP1 (0.52) TDP1MAPK1HSD17B10LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 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 (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-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TDP1 4070/4885MAPK1 3597/4885HSD17B10 34/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC TDP1 4100/4885MAPK1 3320/4885HSD17B10 50/4885

“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.