SCHEMBL29375586

SCHEMBL29375586

COc1cc2c(cc1CC=C(C)C)[C@@H]1Oc3cc(O)ccc3[C@@H]1CO2

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.60
▸ CYP3A4 P08684 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ TYR P14679 1/20 0.49
▸ PPARG P37231 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
Calopocarpin SCHEMBL29411831 0.89 PTPN1 (0.69) PTPN1CYP3A4MAOAMAOB
Calopocarpin SCHEMBL30659500 0.89 PTPN1 (0.69) PTPN1CYP3A4MAOAMAOB
SCHEMBL29619822 0.82 PTPN1 (0.67) PTPN1TYR
SCHEMBL21168205 0.77 MAOA (0.64) PTPN1CYP3A4MAOAMAOBTYR
SCHEMBL31237248 0.77 MAOA (0.64) PTPN1CYP3A4MAOAMAOBTYR
SCHEMBL32889277 0.77 PTPN1 (0.79) PTPN1TYR
SCHEMBL29473025 0.75 MAOA (0.64) PTPN1CYP3A4MAOAMAOBMEN1
Medicarpin SCHEMBL2812444 0.75 MAOA (0.78) PTPN1CYP3A4MAOAMAOBTDP1
Demethylmedicarpin SCHEMBL31663447 0.75 MAOA (0.78) PTPN1CYP3A4MAOAMAOBTDP1
Demethylmedicarpin SCHEMBL29843376 0.75 MAOA (0.78) PTPN1CYP3A4MAOAMAOBTDP1

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-11844813-B2 Ligand regulated protein-protein interaction system ST. ANNA KINDERKREBSFORSCHUNG (AT) 2023-12-19 — — US disclosed
US-20220041687-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2022-02-10 — — 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-20220041687-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) CARS1, CD74, HAVCR2 PTPN1 1563/4885CYP3A4 4148/4885MAOA 4837/4885

“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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