SCHEMBL16189449

SCHEMBL16189449

Cc1cccc(-c2ccc(C3=C(c4ccccc4)C(c4ccccc4)=C(c4ccc(-c5cccc(C)n5)nc4)[Si]3(C)C)cn2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
TGFBR1 P36897 10/20 0.41
CYP2A6 P11509 1/20 0.40
METAP2 P50579 1/20 0.37
GRM5 P41594 1/20 0.36
HPGDS O60760 1/20 0.35
DGAT1 O75907 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL18016432 0.84 HPGDS (0.47) CCR1CCR8TGFBR1CYP2A6GRM5
SCHEMBL10038535 0.83 HPGDS (0.50) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL17532899 0.83 CCR1 (0.52) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL6258557 0.82 CCR1 (0.50) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL6254179 0.82 HPGDS (0.45) HPGDS
SCHEMBL17532900 0.82 ADORA2A (0.38) GRM5HPGDSKDR
SCHEMBL16189464 0.82 CYP3A4 (0.40) CYP2A6HPGDS
SCHEMBL6255432 0.79 NPC1 (0.40) CYP2A6HPGDS
SCHEMBL6253456 0.77 CYP11B1 (0.40)
SCHEMBL17932788 0.77 CCR1 (0.48) CCR1CCR8TGFBR1CYP2A6METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 US disclosed
WO-2014171541-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND APPLICATION THEREFOR 東ソー株式会社 (JP) 2014-10-23 WO 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 CCR1 4739/4885CCR8 3723/4885TGFBR1 4689/4885

“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.