SCHEMBL2201723

SCHEMBL2201723

CCCCCOc1cc2c3cc(OCCCCC)c(OCCCCC)cc3c3cc(OCCCCC)c(OCCCCC)cc3c2cc1OCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.43
SMPD1 P17405 4/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR5A1 Q13285 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL30980096 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1
SCHEMBL31071684 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1
SCHEMBL8974623 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1
SCHEMBL6743869 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1
SCHEMBL202536 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1
SCHEMBL8974064 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1
SCHEMBL12918761 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1
SCHEMBL8975367 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1
SCHEMBL20678395 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1
SCHEMBL29840264 0.98 NR5A1 (0.45) TLR8SMPD1PDE3BPDE3ANR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1159649-B1 ELECTRON BEAM RESIST NAT INST OF ADVANCED IND SCIEN (JP) 2004-06-09 EP claimed
US-6503688-B1 A coating layer containing a polysubstituted triphenylene compound on the substrate surface, the polysubstituted triphenylene compound being an electron beam resist material THE UNIVERSITY OF BIRMINGHAM (GB) 2003-01-07 US claimed
EP-3768676-B1 LUMINESCENT COMPOUNDS CHROMATWIST LTD (GB) 2025-01-01 EP disclosed
US-12041850-B2 Luminescent compounds Chromatwist Limited (GB) 2024-07-16 US disclosed
EP-3768676-A1 LUMINESCENT COMPOUNDS The University Of Birmingham (GB) 2021-01-27 EP disclosed
US-20210005824-A1 LUMINESCENT COMPOUNDS Chromatwist Limited (GB) 2021-01-07 US disclosed
WO-2019180445-A1 LUMINESCENT COMPOUNDS THE UNIVERSITY OF BIRMINGHAM (GB) 2019-09-26 WO disclosed
US-8552086-B2 Dental compositions including organogelators, products, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-08 US disclosed
US-8445558-B2 Dental compositions including organogelators, products, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-21 US disclosed
US-20130109780-A1 DENTAL COMPOSITIONS INLCUDING ORGANOGELATORS, PRODUCTS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 US disclosed
EP-2377507-A2 Dental compositions including organogelators, products, and methods 3M Innovative Properties Company (US) 2011-10-19 EP disclosed
EP-0776353-A1 USE OF LOW-MOLECULAR OR POLYMER ORGANIC COMPOUNDS AVAILABLE IN A COLUMN-SHAPED HELICAL PHASE WITH LIQUID CRYSTAL PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 1997-06-04 EP disclosed
EP-0730569-A1 NOVEL TRIPHENYLENE COMPOUNDS AND PROCESS FOR PRODUCING DISCOIDALLY LIQUID CRYSTALLINE CROSS-LINKED POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1996-09-11 EP disclosed
WO-1996006144-A1 USE OF LOW-MOLECULAR OR POLYMER ORGANIC COMPOUNDS AVAILABLE IN A COLUMN-SHAPED HELICAL PHASE WITH LIQUID CRYSTAL PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 1996-02-29 WO disclosed
WO-1995014652-A1 NOVEL TRIPHENYLENE COMPOUNDS AND PROCESS FOR PRODUCING DISCOIDALLY LIQUID CRYSTALLINE CROSS-LINKED POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1995-06-01 WO disclosed
US-5393626-A Molecular ordering by thermal treatment BASF AKTIENGESELLSCHAFT (DE) 1995-02-28 US disclosed
EP-0527376-A1 Organic photoconductors with liquid crystalline properties BASF Aktiengesellschaft (DE) 1993-02-17 EP disclosed
US-4980081-A Polymers which form liquid-crystalline phases BASF AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
US-4865762-A Polymers which form liquid-crystalline phases BASF AKTIENGESELLSCHAFT (DE) 1989-09-12 US disclosed
EP-0140133-A2 Liquid crystal phase-forming polymers BASF Aktiengesellschaft (DE) 1985-05-08 EP 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-20130109780-A1 DENTAL COMPOSITIONS INLCUDING ORGANOGELATORS, PRODUCTS, AND METHODS ILK, EPM2A, PDE6G TLR8 3890/4885SMPD1 1189/4885PDE3B 208/4885
US-12041850-B2 Luminescent compounds AHR, ARNT, CYCS TLR8 3629/4885SMPD1 4539/4885PDE3B 1758/4885
US-20210005824-A1 LUMINESCENT COMPOUNDS AHR, ARNT, CYCS TLR8 3629/4885SMPD1 4539/4885PDE3B 1758/4885

“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.