SCHEMBL8425952

SCHEMBL8425952

CCCCCCCCCCCCc1ccnc(-c2cc(C)ccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
CCR5 P51681 1/20 0.55
CCR8 P51685 1/20 0.55
KDM4E B2RXH2 3/20 0.48
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.42
CES1 P23141 1/20 0.42
METAP2 P50579 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 2/20 0.40

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
SCHEMBL15819664 1.00 CCR1 (0.55) CCR1CCR5CCR8KDM4ETP53
SCHEMBL17912487 1.00 CCR1 (0.55) CCR1CCR5CCR8KDM4ETP53
SCHEMBL2870297 0.98 CCR1 (0.53) CCR1CCR5CCR8KDM4ETP53
SCHEMBL23011740 0.93 CCR1 (0.59) CCR1CCR5CCR8KDM4ETP53
SCHEMBL29735990 0.93 CCR1 (0.59) CCR1CCR5CCR8KDM4ETP53
SCHEMBL30946624 0.92 CCR1 (0.57) CCR1CCR5CCR8KDM4ETP53
SCHEMBL7963811 0.92 TDP1 (0.46) KDM4ETP53HPGDNPC1RAB9A
SCHEMBL7964430 0.92 TDP1 (0.46) KDM4ETP53HPGDNPC1RAB9A
SCHEMBL529596 0.92 TDP1 (0.46) KDM4ETP53HPGDNPC1RAB9A
SCHEMBL1446914 0.92 TDP1 (0.46) KDM4ETP53HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492318-A1 PHOTOELECTRIC CONVERSION DEVICE WHEREIN DYE CONSISTING OF BINUCLEAR RUTHENIUM COMPLEX HAVING SUBSTITUTED BIPYRIDYL GROUPS IS USED, AND PHOTOCHEMICAL CELL Ube Industries, Ltd. (JP) 2012-08-29 EP disclosed
US-20120204959-A1 PHOTOELECTRIC CONVERSION ELEMENT COMPRISING BINUCLEAR RUTHENIUM COMPLEX DYE HAVING SUBSTITUTED BIPYRIDYL GROUP, AND PHOTOCHEMICAL CELL UBE INDUSTRIES, LTD. (JP) 2012-08-16 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 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-20120204959-A1 PHOTOELECTRIC CONVERSION ELEMENT COMPRISING BINUCLEAR RUTHENIUM COMPLEX DYE HAVING SUBSTITUTED BIPYRIDYL GROUP, AND PHOTOCHEMICAL CELL HCN1, HCN3, CACNA1E CCR1 750/4885CCR5 1501/4885CCR8 3004/4885

“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.