SCHEMBL21751203

SCHEMBL21751203

COC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.47
CYP19A1 P11511 1/20 0.44
AGTR2 P50052 2/20 0.44
FKBP1A P62942 1/20 0.43
BACE1 P56817 2/20 0.43
CYP2C19 P33261 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL19181066 1.00 MMP9 (0.47) MMP9CYP19A1AGTR2FKBP1ABACE1
SCHEMBL24938940 0.90 FKBP1A (0.43) CYP19A1FKBP1ATRPM8
SCHEMBL24251891 0.86 MMP9 (0.45) MMP9AGTR2BACE1CYP2C19
SCHEMBL29385791 0.85 AGTR2 (0.46) MMP9AGTR2FKBP1ABACE1CYP2C19
SCHEMBL13729227 0.85 AGTR2 (0.46) MMP9AGTR2FKBP1ABACE1CYP2C19
SCHEMBL31127193 0.82 MMP2 (0.46) CYP19A1FKBP1ATRPM8
SCHEMBL2276952 0.82 FKBP1A (0.54) CYP19A1FKBP1ATRPM8
SCHEMBL13613076 0.81 POLB (0.48) AGTR2FKBP1A
SCHEMBL5368566 0.81 CYP3A4 (0.50) FKBP1A
SCHEMBL24938939 0.81 CYP3A4 (0.50) FKBP1A

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-11696917-B2 Agent enhancing antitumor effect using pyrazolo[3,4-d]pyrimidine compound TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-07-11 US disclosed
US-20200061067-A1 AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 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-11696917-B2 Agent enhancing antitumor effect using pyrazolo[3,4-d]pyrimidine compound ZYX, DPYD, ZFX MMP9 3034/4885CYP19A1 4410/4885AGTR2 2402/4885
US-20200061067-A1 AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND ZYX, DPYD, ZFX MMP9 3034/4885CYP19A1 4410/4885AGTR2 2402/4885

“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.