SCHEMBL16769403

SCHEMBL16769403

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4c(C)cc(C(C)(C)C)cc4C)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RXRB P28702 3/20 0.38
RXRA P19793 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
RXRG P48443 1/20 0.35

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
SCHEMBL12622302 0.94 NPC1 (0.48) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL16769425 0.93 NPC1 (0.44) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL17807604 0.93 NPC1 (0.44) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL16769413 0.88 NPC1 (0.51) NPC1RAB9ATSHRMAPTRXRB
SCHEMBL16921362 0.88 NPC1 (0.40) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL16769410 0.86 NPC1 (0.42) NPC1RAB9AMAPTKDM4EGAA
SCHEMBL15025992 0.85 ADORA3 (0.40) NPC1RAB9AMAPTALDH1A1NPSR1
SCHEMBL15025688 0.85 ADORA3 (0.40) NPC1RAB9AMAPTALDH1A1ADORA3
SCHEMBL12622364 0.83 PDGFRB (0.40) NPC1RAB9AMAPTALDH1A1ADORA3
SCHEMBL11976541 0.83 TSHR (0.65) NPC1RAB9ATSHRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905767-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 US disclosed
US-20150207077-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-04 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 (2 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-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, CCNL2, CRKL NPC1 4029/4885RAB9A 825/4885TSHR 1962/4885
US-20150207077-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, GRK1, GNA11 NPC1 4247/4885RAB9A 1031/4885TSHR 2736/4885

“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.