SCHEMBL2731883

SCHEMBL2731883

c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
MAOA P21397 1/20 0.63
KMO O15229 1/20 0.59
MEN1 O00255 1/20 0.58
ESR1 P03372 1/20 0.58
KMT2A Q03164 1/20 0.58
MGLL Q99685 2/20 0.55
ALOX5 P09917 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
ACMSD Q8TDX5 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
GP6 Q9HCN6 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 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
SCHEMBL2401076 1.00 ALDH1A1 (0.69) ALDH1A1MAOAKMOMEN1ESR1
SCHEMBL51426 1.00 ALDH1A1 (0.69) ALDH1A1MAOAKMOMEN1ESR1
SCHEMBL29354148 1.00 ALDH1A1 (0.69) ALDH1A1MAOAKMOMEN1ESR1
Biphenyl SCHEMBL11687528 1.00 ALDH1A1 (0.69) ALDH1A1MAOAKMOMEN1ESR1
SCHEMBL6918022 1.00 ALDH1A1 (0.69) ALDH1A1MAOAKMOMEN1ESR1
SCHEMBL31734209 1.00 ALDH1A1 (0.69) ALDH1A1MAOAKMOMEN1ESR1
SCHEMBL31254135 0.96 ALDH1A1 (0.64) ALDH1A1MAOAKMOMEN1ESR1
SCHEMBL14481975 0.96 ALDH1A1 (0.64) ALDH1A1MAOAKMOMEN1ESR1
Bromide SCHEMBL28376133 0.96 ALDH1A1 (0.64) ALDH1A1MAOAKMOMEN1ESR1
SCHEMBL22113250 0.96 ALDH1A1 (0.64) ALDH1A1MAOAKMOMEN1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163392-B1 POLYMER COATINGS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-20 EP claimed
US-4791028-A HEAT TREATMENT OF POLYCYCLOHEXADIENE, ADDITIVE SOLVENT, AROMITIZATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US claimed
EP-0163392-A1 Polymer coatings IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP claimed
US-11917906-B2 Compounds that can be used in an organic electronic device MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
EP-3230403-B1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS MERCK PATENT GMBH (DE) 2019-10-09 EP disclosed
US-20150228907-A1 Porous Films for Use in Light-Emitting Devices NITTO DENKO CORPORATION (JP) 2015-08-13 US disclosed
US-8952364-B2 Light-emitting devices comprising nanostructures NITTO DENKO CORPORATION (JP) 2015-02-10 US disclosed
US-20130140534-A1 Light-Emitting Devices Comprising Nanostructures NITTO DENKO CORPORATION (JP) 2013-06-06 US disclosed
JP-2011233603-A ORGANIC ELECTROLUMINESCENT ELEMENT, AND CHARGE TRANSPORT MATERIAL AND COMPOUND HAVING M-QUINQUEPHENYL STRUCTURE FUJIFILM CORP 2011-11-17 JP disclosed
US-5098576-A Nonporous silicon carbide as adsorbants for liquid chromatography MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-03-24 US disclosed
EP-0163392-B1 POLYMER COATINGS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-20 EP disclosed
US-4791028-A HEAT TREATMENT OF POLYCYCLOHEXADIENE, ADDITIVE SOLVENT, AROMITIZATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0163392-A1 Polymer coatings IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP disclosed
US-4017528-A HYDROLYTIC POLYCONDENSATION OF TETRAALKOXYSILANES OR POLYALKOXYSILOXANES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-12 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-20150228907-A1 Porous Films for Use in Light-Emitting Devices NONO, CLTB, LCP1 ALDH1A1 2014/4885MAOA 707/4885KMO 2560/4885

“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.