SCHEMBL22095896

SCHEMBL22095896

CC(C)c1ccc(CO)c2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 2/20 0.44
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ BRD4 O60885 2/20 0.33
▸ PARP14 Q460N5 1/20 0.31
▸ P2RX7 Q99572 2/20 0.31

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
SCHEMBL19297128 0.86 ACE2 (0.36) ACE2BRD4P2RX7
SCHEMBL23798400 0.81 P2RX7 (0.37) ACE2P2RX7
SCHEMBL11318566 0.79 BRD4 (0.35) BRD4
SCHEMBL18999654 0.79 CCR8 (0.33) ACE2GABRA1GABRG2GABRB3BRD4
SCHEMBL27271494 0.75 TSHR (0.34) ACE2P2RX7
SCHEMBL12278113 0.74 GPR55 (0.39) P2RX7
SCHEMBL25846725 0.74 ACE2 (0.33) ACE2BRD4P2RX7
SCHEMBL12278257 0.73 AHR (0.38) BRD4P2RX7
SCHEMBL12278916 0.73 TNF (0.36) BRD4P2RX7
SCHEMBL31638839 0.73 PARP1 (0.39) BRD4

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-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2021-01-14 — — US disclosed
US-10683294-B2 5-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2020-06-16 — — 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-10683294-B2 5-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 ACE2 638/4885GABRA1 1492/4885GABRG2 2118/4885
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 ACE2 638/4885GABRA1 1492/4885GABRG2 2118/4885

“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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