SCHEMBL25112798

SCHEMBL25112798

c1cnc2c(c1)ccc1ccc(-c3ccc(-c4c5ccccc5c(-c5cc6cccc7c8cccc9ccc%10cccc(c%11cccc5c%11c67)c%10c98)c5ccccc45)cc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.37
▸ CCR8 P51685 5/20 0.37
▸ CCR5 P51681 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL25112979 0.98 CCR1 (0.37) CCR1CCR8CCR5LMNACYP3A4
SCHEMBL25112911 0.91 CCR1 (0.37) CCR1CCR8CCR5LMNACYP3A4
SCHEMBL25112946 0.88 CCR1 (0.41) CCR1CCR8CCR5LMNACYP3A4
SCHEMBL25112799 0.86 CCR1 (0.40) CCR1CCR8CCR5LMNACYP3A4
SCHEMBL12954935 0.85 CCR1 (0.43) CCR1CCR8CCR5LMNACYP3A4
SCHEMBL25112816 0.84 CCR1 (0.47) CCR1CCR8CCR5LMNACYP3A4
SCHEMBL23709974 0.83 KDM4E (0.43) CCR1CCR8CCR5LMNACYP3A4
SCHEMBL17522017 0.82 CCR1 (0.48) CCR1CCR8CCR5LMNACYP3A4
SCHEMBL25112978 0.82 CCR1 (0.41) CCR1CCR8CCR5LMNACYP3A4
SCHEMBL25112880 0.82 CCR1 (0.40) CCR1CCR8CCR5LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-03-16 — — 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-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, PIEZO1, LEF1 CCR1 1810/4885CCR8 3519/4885CCR5 3362/4885

“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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