SCHEMBL78906

SCHEMBL78906

Cc1cccc(CCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.59
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
SLC5A2 P31639 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
IDO1 P14902 2/20 0.47
DAO P14920 2/20 0.46
FDPS P14324 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ACHE P22303 1/20 0.44
NPC1 O15118 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
SCHEMBL30528053 1.00 TAAR1 (0.59) TAAR1CYP4F2CYP4A11SLC5A2HRH3
Dimethylamine SCHEMBL9872133 0.94 TAAR1 (0.53) TAAR1CYP4F2CYP4A11SLC5A2HRH3
SCHEMBL5303210 0.94 TAAR1 (0.57) TAAR1CYP4F2CYP4A11SLC5A2HRH3
SCHEMBL3504070 0.92 TAAR1 (0.55) TAAR1CYP4F2CYP4A11SLC5A2HRH3
SCHEMBL12821195 0.92 TAAR1 (0.55) TAAR1CYP4F2CYP4A11SLC5A2HRH3
Pyrazine SCHEMBL27797318 0.91 TAAR1 (0.50) TAAR1CYP4F2CYP4A11SLC5A2HRH3
Butyl Alcohol SCHEMBL27857142 0.89 TAAR1 (0.52) TAAR1CYP4F2CYP4A11SLC5A2HRH3
SCHEMBL30203725 0.87 TAAR1 (0.63) TAAR1CYP4F2CYP4A11SLC5A2HRH3
SCHEMBL296315 0.87 TAAR1 (0.63) TAAR1CYP4F2CYP4A11SLC5A2HRH3
SCHEMBL8092500 0.87 TAAR1 (0.68) TAAR1SLC5A2HRH3IDO1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023179870-A1 ETHYL 4-OXOPENTANOATE FOR REDUCING ODORS SYMRISE AG (DE) 2023-09-28 WO claimed
EP-4680184-A1 HIGH PERFORMANCE FRAGRANCE COMPOSITIONS FOR RINSE-OFF CONDITIONER International Flavors & Fragrances Inc. (US) 2026-01-21 EP disclosed
WO-2024192221-A1 HIGH PERFORMANCE FRAGRANCE COMPOSITIONS FOR RINSE-OFF CONDITIONER INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2024-09-19 WO disclosed
WO-2023179870-A1 ETHYL 4-OXOPENTANOATE FOR REDUCING ODORS SYMRISE AG (DE) 2023-09-28 WO disclosed
EP-4076007-A1 DODECANDIEN-1-OL AND DODECEN-1-OL OR MIXTURES THEREOF AS AROMA CHEMICALS BASF SE (DE) 2022-10-26 EP disclosed
EP-3256451-B1 IMIDAZOLYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS INC (US) 2021-10-20 EP disclosed
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
CN-108139401-A COMPOSITIONS AND METHODS FOR DIAGNOSING LYME DISEASE AND FOR PREDICTING LYME DISEASE SPIROCHETE ELIMINATION AFTER TREATMENT 凯杰科技有限公司 2018-06-08 CN disclosed
US-5545638-A USING A 3-(TETRAHYDROPYRID-3-YL-) SUBSTITUTED (OXA- OR THIA-)DIAZOLE COMPOUND NOVO NORDISK A/S (DK) 1996-08-13 US disclosed
US-5521282-A FROM 4-/2,3-EPOXYPROPOXY/-2,2,6,6-TETRAMETHYLPIPERIDINE CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
WO-1996014066-A1 A METHOD OF TREATING URINARY BLADDER DYSFUNCTIONS NOVO NORDISK A/S (DK) 1996-05-17 WO disclosed
EP-0687265-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-12-20 EP disclosed
WO-1995017185-A1 A METHOD OF TREATING GASTROINTESTINAL MOTILITY DISORDERS NOVO NORDISK A/S (DK) 1995-06-29 WO disclosed
WO-1995005174-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1995-02-23 WO disclosed
EP-0634449-A2 Polyether with sterically hindered amine side chains as stabilizing agents CIBA-GEIGY AG (CH) 1995-01-18 EP disclosed
WO-1994020495-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-15 WO disclosed
US-4590291-A Thrombin inhibitory new dihydroxybenzene ether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0068250-A1 Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use BAYER AG (DE) 1983-01-05 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 (2 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 TAAR1 2665/4885CYP4F2 100/4885CYP4A11 123/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 TAAR1 2665/4885CYP4F2 100/4885CYP4A11 123/4885

“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.