SCHEMBL17403694

SCHEMBL17403694

CCCCCCCCCCCCc1ccc(Oc2cc3c(=O)n4c5cc6c7cc(OC8CCCCC8)c(OC8CCCCC8)cc7c7cc(OC8CCCCC8)c(OC8CCCCC8)cc7c6cc5nc4c4cc(Oc5ccc(CCCCCCCCCCCC)cc5)c5c6c(Oc7ccc(CCCCCCCCCCCC)cc7)cc7c8c(cc(Oc9ccc(CCCCCCCCCCCC)cc9)c(c2c5c34)c68)c(=O)n2c3cc4c5cc(OC6CCCCC6)c(OC6CCCCC6)cc5c5cc(OC6CCCCC6)c(OC6CCCCC6)cc5c4cc3nc72)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 3/20 0.35
▸ NAAA Q02083 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ SELE P16581 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CFTR P13569 3/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL17403693 1.00 CTSD (0.35) CTSDNAAAICAM1SELECNR2
SCHEMBL17955660 0.93 CNR2 (0.33) CTSDCNR2
SCHEMBL17403697 0.87 NPBWR1 (0.38) ICAM1SELENPBWR1
SCHEMBL17403699 0.87 NPBWR1 (0.38) ICAM1SELENPBWR1
SCHEMBL16786426 0.83 RORA (0.39) ICAM1SELENPBWR1ALDH1A1
SCHEMBL16786442 0.82 RORA (0.38) ICAM1SELENPBWR1ALDH1A1
SCHEMBL16786443 0.82 RORA (0.38) ICAM1SELENPBWR1ALDH1A1
SCHEMBL16786425 0.82 RORA (0.38) ICAM1SELENPBWR1ALDH1A1
SCHEMBL17190547 0.81 MEN1 (0.41) ICAM1SELEALDH1A1
SCHEMBL17403692 0.81 ICAM1 (0.33) ICAM1SELE

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-20160002238-A1 COMPOUND, SOLAR CELL MODULE, AND PHOTOVOLTAIC POWER GENERATION DEVICE SHARP KABUSHIKI KAISHA (JP) 2016-01-07 — — US disclosed
US-20160002238-A1 COMPOUND, SOLAR CELL MODULE, AND PHOTOVOLTAIC POWER GENERATION DEVICE SHARP KABUSHIKI KAISHA (JP) 2016-01-07 — — 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-20160002238-A1 COMPOUND, SOLAR CELL MODULE, AND PHOTOVOLTAIC POWER GENERATION DEVICE CRY1, CCNE2, CCND2 CTSD 4153/4885NAAA 4139/4885ICAM1 3807/4885

“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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