SCHEMBL18317068

SCHEMBL18317068

CCCCCc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
HTR2A P28223 2/20 0.51
KCNH3 Q9ULD8 1/20 0.51
ALDH1A1 P00352 4/20 0.50
UNG P13051 3/20 0.50
SLC6A2 P23975 3/20 0.50
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
LMNA P02545 2/20 0.50
ALOX12 P18054 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL2493792 0.98 HTR2A (0.54) TRPV1HTR2AKCNH3ALDH1A1UNG
SCHEMBL11204938 0.98 HTR2A (0.54) TRPV1HTR2AKCNH3ALDH1A1UNG
SCHEMBL21634393 0.98 HTR2A (0.54) TRPV1HTR2AKCNH3ALDH1A1UNG
SCHEMBL27480376 0.98 HTR2A (0.54) TRPV1HTR2AKCNH3ALDH1A1UNG
SCHEMBL449939 0.98 HTR2A (0.54) TRPV1HTR2AKCNH3ALDH1A1UNG
SCHEMBL2539187 0.94 TRPV1 (0.58) TRPV1ALDH1A1SLC6A2HSD17B10PTGS1
Diphenylamine SCHEMBL27639994 0.92 KCNH2 (0.59) TRPV1HTR2AKCNH3ALDH1A1SLC6A2
Water SCHEMBL28757114 0.92 TRPV1 (0.57) TRPV1ALDH1A1SLC6A2HSD17B10PTGS1
SCHEMBL380602 0.92 ALDH1A1 (0.57) TRPV1HTR2AALDH1A1UNGSLC6A2
SCHEMBL2391508 0.90 ESR1 (0.61) TRPV1HTR2AALDH1A1UNGSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9985213-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2018-05-29 US disclosed
US-20170324039-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2017-11-09 US disclosed
US-9748494-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2017-08-29 US disclosed
US-9748494-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2017-08-29 US disclosed
US-20160372664-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2016-12-22 US disclosed
US-20160372664-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2016-12-22 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-20160372664-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS RER1, LEF1, RIF1 TRPV1 807/4885HTR2A 1620/4885KCNH3 646/4885
US-20170324039-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC APPARATUS RER1, OR10J3, LEF1 TRPV1 445/4885HTR2A 1880/4885KCNH3 265/4885

“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.