SCHEMBL29320765

SCHEMBL29320765

CBC(C)(C)c1cn2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.47
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NPC1 O15118 12/20 0.42
RAB9A P51151 12/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 7/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
GFER P55789 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL10129490 0.82 SSTR4 (0.48) SSTR4PTGS1PTGS2NPC1RAB9A
SCHEMBL30339144 0.79 RAB9A (0.46) SSTR4PTGS1PTGS2NPC1RAB9A
SCHEMBL9796679 0.79 SSTR4 (0.46) SSTR4PTGS1PTGS2NPC1RAB9A
SCHEMBL18517250 0.77 NPC1 (0.48) SSTR4PTGS1PTGS2NPC1RAB9A
SCHEMBL161950 0.75 RAB9A (0.49) SSTR4PTGS1PTGS2NPC1RAB9A
SCHEMBL22333551 0.74 SSTR4 (0.45) SSTR4PTGS1PTGS2NPC1RAB9A
SCHEMBL21239943 0.74 SSTR4 (0.45) SSTR4PTGS1PTGS2NPC1RAB9A
SCHEMBL23562883 0.72 RAB9A (0.45) SSTR4PTGS1PTGS2NPC1RAB9A
SCHEMBL15979317 0.72 SSTR4 (0.44) SSTR4PTGS1PTGS2NPC1RAB9A
SCHEMBL9968616 0.71 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 SSTR4 2086/4885PTGS1 1514/4885PTGS2 1680/4885

“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.