SCHEMBL29375106

SCHEMBL29375106

COc1c(O)c(CC=C(C)C)c(O)c2c1O[C@H](c1ccccc1)[C@@H](O)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.50
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ IMPDH2 P12268 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ XDH P47989 2/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ CTSV O60911 1/20 0.40
▸ ABCG2 Q9UNQ0 3/20 0.40
▸ CYP19A1 P11511 1/20 0.40

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
Microfolione SCHEMBL30321441 0.81 MAPT (0.66) ACHECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4231030 0.79 CACNA1H (0.46) ACHECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27013508 0.78 ACHE (0.67) ACHECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27013475 0.73 ESR1 (0.68) ACHECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27006405 0.73 ESR1 (0.68) ACHECYP3A4CYP2D6CYP2C9CYP2C19
Neophellamuretin SCHEMBL27013455 0.70 ABCG2 (0.66) ACHECYP3A4CYP2D6CYP2C9CYP2C19
Neophellamuretin SCHEMBL30766255 0.70 ABCG2 (0.66) ACHECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL564492 0.70 IDO1 (0.67) MEN1POLBMAPTXBP1KMT2A
SCHEMBL30634928 0.70 GABRA1 (0.66) ACHEMAPTKMT2APDCD1CD274
SCHEMBL22922168 0.70 GABRA1 (0.66) ACHEMAPTKMT2APDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12102653-B2 Ligand regulated protein-protein interaction system ST. ANNA KINDERKREBSFORSCHUNG (AT) 2024-10-01 — — US disclosed
US-20240000841-A1 LIGAND REGULATED PROTEIN-PROTEIN INTERACTION SYSTEM ST ANNA KINDERKREBSFORSCHUNG (AT) 2024-01-04 — — US disclosed
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 ACHE 4537/4885CYP3A4 4148/4885CYP2D6 4616/4885

“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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