SCHEMBL29318336

SCHEMBL29318336

COc1ccc(-c2noc([C@]34CC[C@](CNC(=O)OC(C)(C)C)(CC3)CC4)n2)nn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.37
NR1H4 Q96RI1 13/20 0.35
P2RX7 Q99572 1/20 0.34
HSD11B1 P28845 1/20 0.34
KIT P10721 2/20 0.33
GABRA5 P31644 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL30892954 1.00 SMO (0.37) SMONR1H4P2RX7HSD11B1KIT
SCHEMBL27213684 0.88 NR1H4 (0.40) NR1H4P2RX7HSD11B1GABRA5
SCHEMBL30849280 0.85 NR1H4 (0.34) NR1H4P2RX7HSD11B1
SCHEMBL27394436 0.80 P2RX7 (0.39) NR1H4P2RX7HSD11B1
SCHEMBL30892906 0.80 P2RX7 (0.39) NR1H4P2RX7HSD11B1
SCHEMBL30849221 0.78 P2RX7 (0.39) NR1H4P2RX7HSD11B1
SCHEMBL27392402 0.78 P2RX7 (0.39) NR1H4P2RX7HSD11B1
SCHEMBL27213713 0.78 P2RX7 (0.39) NR1H4P2RX7HSD11B1
SCHEMBL27213745 0.78 HSD11B1 (0.37) NR1H4HSD11B1
SCHEMBL27392398 0.78 HSD11B1 (0.37) NR1H4HSD11B1

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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
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 SMO 2999/4885NR1H4 94/4885P2RX7 4636/4885

“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.