SCHEMBL26309888

SCHEMBL26309888

COc1cc(Br)cc2c1[C@@H](N1CC(O)C1)CC2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.40
▸ EED O75530 1/20 0.38
▸ DRD1 P21728 1/20 0.37
▸ ERN1 O75460 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ SLC18A2 Q05940 2/20 0.33
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL26309889 1.00 PARP1 (0.40) PARP1EEDDRD1ERN1GAA
SCHEMBL24842638 0.81 ALDH1A1 (0.48) ERN1GAA
SCHEMBL26239694 0.81 ALDH1A1 (0.48) ERN1GAA
SCHEMBL24842946 0.81 ALDH1A1 (0.48) ERN1GAA
SCHEMBL24698046 0.78 ERN1 (0.39) PARP1ERN1GAAHTR2A
SCHEMBL21178394 0.78 ERN1 (0.39) PARP1ERN1GAAHTR2A
SCHEMBL26309890 0.73 PARP1 (0.38) PARP1DRD1
SCHEMBL26309891 0.73 PARP1 (0.38) PARP1DRD1
SCHEMBL24698045 0.72 HTR1A (0.39) ERN1HTR2A
SCHEMBL21178823 0.72 HTR1A (0.39) ERN1HTR2A

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-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 — — US disclosed
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 — — 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-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 PARP1 2933/4885EED 4034/4885DRD1 4382/4885

“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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