SCHEMBL3312967

SCHEMBL3312967

CCCCCCn1cccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.47
TLR8 Q9NR97 3/20 0.43
TLR7 Q9NYK1 1/20 0.43
NOS1 P29475 2/20 0.42
DAO P14920 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
HTT P42858 4/20 0.37
GALR3 O60755 2/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 2/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL11775156 1.00 TBXAS1 (0.47) TBXAS1TLR8TLR7NOS1DAO
SCHEMBL6114513 1.00 TBXAS1 (0.47) TBXAS1TLR8TLR7NOS1DAO
SCHEMBL11438392 1.00 TBXAS1 (0.47) TBXAS1TLR8TLR7NOS1DAO
SCHEMBL6114991 1.00 TBXAS1 (0.47) TBXAS1TLR8TLR7NOS1DAO
SCHEMBL11440961 1.00 TBXAS1 (0.47) TBXAS1TLR8TLR7NOS1DAO
SCHEMBL6114716 1.00 TBXAS1 (0.47) TBXAS1TLR8TLR7NOS1DAO
SCHEMBL6114640 1.00 TBXAS1 (0.47) TBXAS1TLR8TLR7NOS1DAO
SCHEMBL5691507 1.00 TBXAS1 (0.47) TBXAS1TLR8TLR7NOS1DAO
SCHEMBL6114927 1.00 TBXAS1 (0.47) TBXAS1TLR8TLR7NOS1DAO
Bromide SCHEMBL557239 0.98 TBXAS1 (0.46) TBXAS1TLR8TLR7NOS1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485076-B2 Liquid hair dye composition KAO CORPORATION (JP) 2025-12-02 US disclosed
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres L'OREAL (FR) 2023-01-17 US disclosed
US-20220151897-A1 LIQUID HAIR DYE COMPOSITION KAO CORPORATION (JP) 2022-05-19 US disclosed
EP-3943161-A1 LIQUID HAIR DYE COMPOSITION Kao Corporation (JP) 2022-01-26 EP disclosed
EP-3823582-A1 HAIR COLOURING OR BLEACHING PRODUCTS, AND COMPOSITIONS THEREOF, WITH ALKALI CANCELLING EFFECT HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-05-26 EP disclosed
EP-3609468-A1 METHOD FOR TREATING HAIR, KIT, AND USE OF THE KIT Coty Inc. (US) 2020-02-19 EP disclosed
WO-2020016404-A1 HAIR COLOURING OR BLEACHING PRODUCTS, AND COMPOSITIONS THEREOF, WITH ALKALI CANCELLING EFFECT HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-23 WO disclosed
WO-2019071194-A1 HAIR STYLING METHOD AND KIT THEREOF COTY, INC. (US) 2019-04-11 WO disclosed
WO-2018191362-A1 METHOD FOR TREATING HAIR, KIT, AND USE OF THE KIT COTY INC. (US) 2018-10-18 WO disclosed
WO-2018053177-A1 COMPOSITION FOR LIGHTENING OR DYEING KERATIN FIBERS WITH A LOW AMOUNT OF OXIDIZING AGENT NOXELL CORPORATION (US) 2018-03-22 WO disclosed
US-4451653-A INSECTICIDCES THE DOW CHEMICAL COMPANY (US) 1984-05-29 US disclosed
US-4433148-A CHEMICAL INTERMEDIATES FOR TRIAZOLYL PHOSPHORUS INSECTICIDWS THE DOW CHEMICAL CO. (US) 1984-02-21 US disclosed
US-4400516-A PYRIDINE OR QUINOLINE SUBSTITUTED PESTICIDES THE DOW CHEMICAL CO. (US) 1983-08-23 US disclosed
US-4357327-A Heterocyclic substituted triazolyl phosphorous compounds and their use as insecticides THE DOW CHEMICAL CO. (US) 1982-11-02 US disclosed
US-4357328-A Heterocyclic substituted triazolyl phosphorous compounds and their use as insecticides THE DOW CHEMICAL CO. (US) 1982-11-02 US disclosed
EP-0010891-B1 HETEROCYCLIC SUBSTITUTED TRIAZOLYL PHOSPHOROUS COMPOUNDS, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHOD FOR CONTROLLING INSECTS THE DOW CHEMICAL COMPANY (US) 1982-09-01 EP disclosed
US-4298602-A MITICIDES THE DOW CHEMICAL COMPANY (US) 1981-11-03 US disclosed
EP-0010891-A1 Heterocyclic substituted triazolyl phosphorous compounds, insecticidal compositions containing them and method for controlling insects THE DOW CHEMICAL COMPANY (US) 1980-05-14 EP disclosed
US-4094873-A Process for preparing phosphorothioates and phenylphosphonothioates THE DOW CHEMICAL COMPANY (US) 1978-06-13 US disclosed
US-4028439-A QUATERNARY AMMONIUM SALT AND IMIDAZOLE CATALYSTS THE DOW CHEMICAL COMPANY (US) 1977-06-07 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 (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-12485076-B2 Liquid hair dye composition S100B, HLA-B, LDHB TBXAS1 4740/4885TLR8 3783/4885TLR7 2456/4885
US-20220151897-A1 LIQUID HAIR DYE COMPOSITION S100B, HLA-B, LDHB TBXAS1 4740/4885TLR8 3783/4885TLR7 2456/4885
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres KRT18, ALK, AOC1 TBXAS1 2883/4885TLR8 2872/4885TLR7 2388/4885

“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.