SCHEMBL537001

SCHEMBL537001

c1ccc(-c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SLC18A3 Q16572 2/20 0.50
RAF1 P04049 1/20 0.50
NOTUM Q6P988 2/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DHODH Q02127 1/20 0.48
KDM1A O60341 3/20 0.47
MAOB P27338 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
GALR1 P47211 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL18561699 1.00 NPC1 (0.58) NPC1RAB9ASLC18A3RAF1NOTUM
SCHEMBL27848727 1.00 NPC1 (0.58) NPC1RAB9ASLC18A3RAF1NOTUM
SCHEMBL15758248 0.98 NPC1 (0.60) NPC1RAB9ASLC18A3RAF1NOTUM
Fluoride SCHEMBL28559395 0.95 NPC1 (0.58) NPC1RAB9ASLC18A3RAF1NOTUM
Biphenyl SCHEMBL27637129 0.93 SLC18A3 (0.57) NPC1RAB9ASLC18A3SIGMAR1POLB
SCHEMBL14880676 0.93 NPC1 (0.60) NPC1RAB9ASLC18A3RAF1NOTUM
Bicarbonate SCHEMBL27623769 0.92 NPC1 (0.66) NPC1RAB9AHSP90AA1GAAMAPT
SCHEMBL11764880 0.92 NPC1 (0.51) NPC1RAB9ASLC18A3RAF1NOTUM
Fluoride SCHEMBL28552116 0.91 NPC1 (0.58) NPC1RAB9ASLC18A3RAF1NOTUM
Hydrogen Peroxide SCHEMBL28451101 0.91 NPC1 (0.52) NPC1RAB9ANOTUMHSP90AA1GAA

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 314 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345686-B2 Aromatic amine derivative, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2022-05-31 US claimed
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2019-06-13 US claimed
US-9391279-B2 Aromatic amine derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-07-12 US claimed
EP-2239259-B1 AROMATIC AMINE DERIVATIVE AND USE OF THE SAME IN AN ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO (JP) 2016-04-13 EP claimed
US-20130253183-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-09-26 US claimed
US-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-02-10 US claimed
US-7737628-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-06-15 US claimed
EP-0866110-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-10-20 EP claimed
EP-0934992-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-07-21 EP claimed
EP-0546419-B1 Heat transfer liquid and its preparation BAYER AG (DE) 1996-02-28 EP claimed
US-5384059-A Cyclohexylbiphenyls, dicyclohexylbenzenes, phenylbicyclohexyls, tercyclohexyls BAYER AKTIENGESELLSCHAFT (DE) 1995-01-24 US claimed
EP-0546419-A1 Heat transfer liquid and its preparation BAYER AG (DE) 1993-06-16 EP claimed
EP-0103095-B1 DICHROIC MATERIAL CONTAINING ANTHRAQUINONE DYES BAYER AG (DE) 1990-08-29 EP claimed
EP-0103095-A2 Dichroic material containing anthraquinone dyes BAYER AG (DE) 1984-03-21 EP claimed
JP-58065783-A None JP disclosed
JP-54078383-A None JP disclosed
JP-5271111-A None JP disclosed
JP-S5865783-A LIQUID CRYSTAL MATERIAL ALPS ELECTRIC CO LTD 1983-04-19 JP disclosed
JP-S573874-A RECORDING LIQUID AND METHOD OF RECORDING CANON INC 1982-01-09 JP disclosed
JP-S5478383-A LIQUID CRYSTAL DISPLAY ELEMENT TOSHIBA CORP 1979-06-22 JP 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 (3 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-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, DDC, EML4 NPC1 4861/4885RAB9A 3017/4885SLC18A3 179/4885
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT TYR, LEF1, EFNA1 NPC1 2818/4885RAB9A 2872/4885SLC18A3 361/4885
US-11345686-B2 Aromatic amine derivative, and organic electroluminescent element TYR, LEF1, EFNA1 NPC1 2818/4885RAB9A 2872/4885SLC18A3 361/4885

“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.