SCHEMBL23079390

SCHEMBL23079390

CCc1ccc(O)c(O)c1F

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ ADRA2A P08913 2/20 0.42
▸ ADRA2B P18089 2/20 0.42
▸ ADRA2C P18825 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ ADRB2 P07550 2/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ PRKCI P41743 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ FEN1 P39748 1/20 0.39

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
SCHEMBL9419249 0.84 KDM4E (0.41) GABRA1GABRB2PRKCIESR1ESR2
SCHEMBL27869261 0.83 PRKCI (0.50) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL18671257 0.82 MEP1A (0.49) GABRA1GABRB2PRKCIESR1ESR2
SCHEMBL13326871 0.78 MEP1B (0.51) GABRA1GABRB2FEN1
SCHEMBL17997275 0.78 GABRA1 (0.41) GABRA1GABRB2PRKCIFEN1
SCHEMBL29719025 0.78 GABRA1 (0.56) GABRA1GABRB2PRKCIESR1ESR2
SCHEMBL2475390 0.78 GABRA1 (0.56) GABRA1GABRB2PRKCIESR1ESR2
SCHEMBL16637663 0.77 GABRA1 (0.44) GABRA1GABRB2PRKCIESR1ESR2
SCHEMBL19196278 0.77 GABRA1 (0.39) GABRA1GABRB2FEN1
SCHEMBL10335750 0.75 P2RX7 (0.37) GABRA1GABRB2ESR1ESR2

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-20210070774-A1 PENAM DERIVATIVES FOR TREATING BACTERIAL INFECTIONS TENNOR THERAPEUTICS LIMITED (CN) 2021-03-11 — — 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-20210070774-A1 PENAM DERIVATIVES FOR TREATING BACTERIAL INFECTIONS BPGM, BLVRB, PREP GABRA1 4305/4885GABRB2 3643/4885ADRA2A 4051/4885

“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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