SCHEMBL17807601

SCHEMBL17807601

Cc1ccc(N(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C)cc3C)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
HCRTR2 O43614 1/20 0.36
POLB P06746 1/20 0.33
HSD17B2 P37059 3/20 0.33
ALDH1A1 P00352 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ESR1 P03372 1/20 0.32
LMNA P02545 2/20 0.31
TYR P14679 1/20 0.31
PTAFR P25105 1/20 0.31

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
SCHEMBL13322025 0.97 TSHR (0.48) TSHRNPC1MAPTRAB9AHCRTR2
SCHEMBL22177074 0.93 TSHR (0.50) TSHRNPC1MAPTRAB9AHCRTR2
SCHEMBL18506624 0.86 TSHR (0.43) TSHRNPC1MAPTRAB9AHCRTR2
SCHEMBL19958559 0.86 ALDH1A1 (0.42) TSHRMAPTRAB9AALDH1A1ACHE
SCHEMBL7765869 0.86 ALDH1A1 (0.42) TSHRMAPTRAB9AALDH1A1ACHE
SCHEMBL15281211 0.85 TSHR (0.44) TSHRNPC1MAPTRAB9AHCRTR2
SCHEMBL19075250 0.85 TSHR (0.42) TSHRNPC1MAPTRAB9AHCRTR2
SCHEMBL20143907 0.84 TSHR (0.40) TSHRNPC1MAPTRAB9AHCRTR2
SCHEMBL14948379 0.84 TSHR (0.56) TSHRNPC1MAPTRAB9AHCRTR2
SCHEMBL19958560 0.84 ALDH1A1 (0.41) TSHRMAPTRAB9AALDH1A1ACHE

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 TSHR 4738/4885NPC1 4055/4885MAPT 1007/4885
US-20170092864-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME CRY1, CCNA1, H1-0 TSHR 1717/4885NPC1 4166/4885MAPT 2698/4885
US-20170137566-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME ARL1, NMRAL1, RB1 TSHR 837/4885NPC1 4726/4885MAPT 3248/4885
US-20170040538-A1 LIGHT-EMITTING DEVICE CRY1, CRY2, CYBA TSHR 4704/4885NPC1 4828/4885MAPT 1283/4885
US-20180123056-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED FOR THIS LIGHT EMITTING DEVICE CHRM1, CRY1, L1CAM TSHR 3346/4885NPC1 3836/4885MAPT 1420/4885

“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.