SCHEMBL22688357

SCHEMBL22688357

CCOC(=O)C1(CCCF)CC=C(B2OC(C)(C)C(C)(C)O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 9/20 0.33
▸ KMT2A Q03164 9/20 0.33
▸ POLB P06746 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ PKM P14618 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 11/20 0.31
▸ OPRM1 P35372 2/20 0.31
▸ OPRD1 P41143 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ OPRK1 P41145 1/20 0.30
▸ NPY1R P25929 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
SCHEMBL17162692 0.89 P2RX7 (0.38) P2RX7MAPK1KMT2AALDH1A1OPRM1
SCHEMBL29989231 0.89 P2RX7 (0.38) P2RX7MAPK1KMT2AALDH1A1OPRM1
SCHEMBL21080 0.81 P2RX7 (0.41) P2RX7MAPK1MEN1KMT2AOPRM1
SCHEMBL17850040 0.81 P2RX7 (0.41) P2RX7MAPK1MEN1KMT2AOPRM1
SCHEMBL22668 0.81 P2RX7 (0.33) P2RX7MAPK1KMT2APOLBLMNA
SCHEMBL17178005 0.80 P2RX7 (0.35) P2RX7MAPK1
SCHEMBL17178006 0.80 P2RX7 (0.35) P2RX7MAPK1
SCHEMBL20673643 0.79 DDB1 (0.37) MAPK1ALDH1A1L3MBTL1
SCHEMBL15166801 0.79 P2RX7 (0.41) P2RX7MAPK1MEN1KMT2AOPRM1
SCHEMBL22898175 0.78 CTDSP1 (0.38) MAPK1MEN1KMT2APOLBLMNA

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-20200360404-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2020-11-19 — — 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-20200360404-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, CYP8B1, LSS P2RX7 3047/4885MAPK1 2233/4885MEN1 4514/4885

“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.

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