SCHEMBL17807604

SCHEMBL17807604

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3c(C)cc(C(C)(C)C)cc3C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

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 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
S1PR1 P21453 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
S1PR3 Q99500 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.35
RXRG P48443 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 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
SCHEMBL16769403 0.93 NPC1 (0.44) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL12622302 0.87 NPC1 (0.48) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL16769425 0.86 NPC1 (0.44) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL12621116 0.85 ADORA3 (0.40) NPC1RAB9AMAPTALDH1A1ADORA3
SCHEMBL12622270 0.84 POLB (0.46) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL11976541 0.83 TSHR (0.65) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL19723432 0.83 TSHR (0.65) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL16921362 0.81 NPC1 (0.40) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL15178729 0.81 TSHR (0.62) NPC1RAB9ATSHRMAPTKDM4E
SCHEMBL12621113 0.81 TSHR (0.62) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180123056-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED FOR THIS LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-03 US disclosed
US-9929359-B2 Composition and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-27 US disclosed
US-20170283546-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170253795-A1 POLYMER COMPOUND AND LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-07 US disclosed
US-9741934-B2 Polymer compound and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-22 US disclosed
US-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-18 US disclosed
US-20170117491-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED IN THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-27 US disclosed
US-20170092864-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-30 US disclosed
US-20170040538-A1 LIGHT-EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-20160233425-A1 LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-11 US disclosed
US-20160211452-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-21 US disclosed
US-20160164008-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 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 (5 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-20170117491-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED IN THE SAME CYBA, CRY1, AP2A1 NPC1 4055/4885RAB9A 2519/4885TSHR 4738/4885
US-20170092864-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME CRY1, CCNA1, H1-0 NPC1 4166/4885RAB9A 2458/4885TSHR 1717/4885
US-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME ARL1, NMRAL1, RB1 NPC1 4726/4885RAB9A 366/4885TSHR 837/4885
US-20170040538-A1 LIGHT-EMITTING DEVICE CRY1, CRY2, CYBA NPC1 4828/4885RAB9A 2601/4885TSHR 4704/4885
US-20180123056-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED FOR THIS LIGHT EMITTING DEVICE CHRM1, CRY1, L1CAM NPC1 3836/4885RAB9A 2799/4885TSHR 3346/4885

“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.