SCHEMBL29670247

SCHEMBL29670247

COc1cc(C(=O)O)ccc1OCC1CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA7 P43166 1/20 0.63
TPMT P51580 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
PDE4B Q07343 10/20 0.58
PDE4A P27815 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
MRGPRX4 Q96LA9 1/20 0.56
TTR P02766 1/20 0.52
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL15596058 1.00 TSHR (0.66) TSHRCA12CA1CA2CA4
SCHEMBL6940040 0.94 TSHR (0.62) TSHRCA12CA1CA2CA4
SCHEMBL30575456 0.94 CA12 (0.63) TSHRCA12CA1CA2CA4
SCHEMBL1031663 0.94 CA12 (0.63) TSHRCA12CA1CA2CA4
SCHEMBL28034346 0.91 PDE4B (0.53) TSHRCA12CA1CA2CA4
SCHEMBL4425396 0.90 TSHR (0.57) TSHRCA12CA1CA2CA4
SCHEMBL7389578 0.89 PDE4B (0.60) TSHRCA12CA1CA2CA4
SCHEMBL20463312 0.88 PDE4B (0.58) TSHRPDE4BPDE4APDE4CPDE4D
SCHEMBL12508471 0.87 PDE4B (0.58) TSHRCA12CA1CA2CA4
SCHEMBL2090601 0.87 PDE4B (0.60) TSHRPDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363640-A1 ANTIVIRAL COMPOUNDS Janssen Biopharma, Inc. (US) 2022-11-17 US disclosed
CN-114716426-A Antiviral compounds 詹森生物制药有限公司 2022-07-08 CN disclosed
CN-105636936-B Antiviral compounds 詹森生物制药有限公司 2022-04-05 CN 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-20220363640-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 TSHR 4469/4885CA12 4108/4885CA1 4791/4885

“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.