SCHEMBL30786901

SCHEMBL30786901

COc1cc(OCc2cccc(-c3cccc(OCCCN4NNC=C4C=O)c3C)c2C)c(Cl)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 17/20 0.43
▸ PDCD1 Q15116 5/20 0.43
▸ HTR1A P08908 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 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
SCHEMBL18729182 0.84 CD274 (0.51) CD274PDCD1HTR1AADRA1DADRA1A
SCHEMBL18757374 0.83 CD274 (0.48) CD274PDCD1
SCHEMBL18728568 0.82 CD274 (0.50) CD274PDCD1HTR1AADRA1DADRA1A
SCHEMBL28596509 0.81 CD274 (0.43) CD274PDCD1
SCHEMBL30267183 0.81 CD274 (0.43) CD274PDCD1
SCHEMBL19897862 0.81 CD274 (0.59) CD274PDCD1
SCHEMBL19911749 0.79 CD274 (0.57) CD274PDCD1
SCHEMBL18729012 0.78 CD274 (0.49) CD274PDCD1
SCHEMBL18729013 0.78 CD274 (0.49) CD274PDCD1
SCHEMBL20721089 0.73 CD274 (0.47) CD274PDCD1

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
EP-4332099-A1 NOVEL BIPHENYL DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF Xi'an Xintong Pharmaceutical Research Co., Ltd. (CN) 2024-03-06 — — EP disclosed
US-20240043392-A1 NOVEL BIPHENYL DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF XI'AN XINTON PHARMACEUTCAL RESEARCH CO., LTD. (CN) 2024-02-08 — — 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-20240043392-A1 NOVEL BIPHENYL DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF CD274, PDCD1, PDCD1LG2 CD274 1/4885PDCD1 2/4885HTR1A 1648/4885

“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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