SCHEMBL185969

SCHEMBL185969

O=Cc1[nH]c(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 3/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CTSV O60911 1/20 0.44
LMNA P02545 1/20 0.44
TUBB4A P04350 1/20 0.44
TP53 P04637 1/20 0.44
TUBB P07437 1/20 0.44
CTSL P07711 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 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
SCHEMBL7329075 0.83 RAB9A (0.51) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL14770901 0.80 MPO (0.49) NPC1RAB9AKDM4EATMMAPT
SCHEMBL28442582 0.79 ALDH1A1 (0.45) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL186253 0.78 GCGR (0.47) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL186808 0.73 GCGR (0.43) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL4793206 0.71 GCGR (0.65) GCGRMAPK14
SCHEMBL18190288 0.70 CSF1R (0.40) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL16976741 0.69 PDE4A (0.55) NPC1RAB9AKDM4EATMMAPT
SCHEMBL15572536 0.69 NPC1 (1.00) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL27642153 0.69 NPC1 (0.68) NPC1RAB9AKDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 US disclosed
EP-2402351-B1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2013-10-09 EP disclosed
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 US disclosed
EP-2402351-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-01-04 EP disclosed
EP-0786925-B1 White light-emitting electroluminescent devices EASTMAN KODAK CO (US) 2002-06-19 EP disclosed
EP-0596098-B1 FLUORESCENT MICROPARTICLES WITH CONTROLLABLE ENHANCED STOKES SHIFT MOLECULAR PROBES INC (US) 1998-06-17 EP disclosed
EP-0612336-B1 LONG WAVELENGTH CHEMICALLY REACTIVE DIPYRROMETHENEBORON DIFLUORIDE DYES AND CONJUGATES MOLECULAR PROBES INC (US) 1998-01-07 EP disclosed
US-5683823-A 4,4-DIFLUROR-4-BORA-3A,4A-DIAZA-S-INDACENE GUEST COMPONENT EASTMAN KODAK COMPANY (US) 1997-11-04 US disclosed
EP-0786925-A2 White light-emitting electroluminescent devices EASTMAN KODAK COMPANY (US) 1997-07-30 EP disclosed
US-5573909-A DETECTING MULTIPLE DIFFERENT TARGET SPECIFIC BINDING PAIR MEMBER IN SAMPLE BY USING PROBES COMPRISING POLYMERIC MICROPARTICLE CONTAINING DISPERSED SERIES OF FLUORESCENT DYES, AND COMPLEMENTARY SPECIFIC BINDING PAIR MEMBER MOLECULAR PROBES, INC. (US) 1996-11-12 US disclosed
US-5451663-A Fluorescent dyes MOLECULAR PROBES, INC. (US) 1995-09-19 US disclosed
US-5338854-A Detectors for study of natural or synthetic lipid membranes MOLECULAR PROBES, INC. (US) 1994-08-16 US disclosed
US-5326692-A Polyazaindacene dyes MOLECULAR PROBES, INC. (US) 1994-07-05 US disclosed
EP-0596098-A1 FLUORESCENT MICROPARTICLES WITH CONTROLLABLE ENHANCED STOKES SHIFT MOLECULAR PROBES, INC. (US) 1994-05-11 EP disclosed
US-5274113-A Long wavelength chemically reactive dipyrrometheneboron difluoride dyes and conjugates MOLECULAR PROBES, INC. (US) 1993-12-28 US disclosed
WO-1993023492-A1 FLUORESCENT MICROPARTICLES WITH CONTROLLABLE ENHANCED STOKES SHIFT MOLECULAR PROBES, INC. (US) 1993-11-25 WO disclosed
US-5248782-A Fluorescent dyes MOLECULAR PROBES, INC. (US) 1993-09-28 US disclosed
US-5187288-A Electrically neutral, photostable, narrow absorption and emission spectra MOLECULAR PROBES, INC. (US) 1993-02-16 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 (1 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-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME LEF1, ZRANB2, AFF1 NPC1 1898/4885RAB9A 1128/4885KDM4E 4112/4885

“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.