SCHEMBL104529

SCHEMBL104529

CC(C)Cc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ALOX5AP P20292 1/20 0.44
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
LMNA P02545 1/20 0.42
ALB P02768 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
Iodide SCHEMBL1750931 0.97 CYP2C9 (0.47) CYP3A4CYP2C9CYP1A2CYP2C19S1PR1
Ammonia Solution, Strong SCHEMBL29040632 0.97 CYP3A4 (0.47) CYP3A4CYP2C9CYP1A2CYP2C19S1PR1
SCHEMBL21394848 0.91 S1PR1 (0.46) CYP3A4CYP2C9CYP1A2CYP2C19S1PR1
SCHEMBL12591976 0.86 S1PR1 (0.54) CYP3A4S1PR1S1PR3CYP19A1ALDH1A1
SCHEMBL26329006 0.82 CYP3A4 (0.47) CYP3A4CYP2C9CYP1A2CYP2C19LOXL2
SCHEMBL21851278 0.82 CYP3A4 (0.47) CYP3A4CYP2C9CYP1A2CYP2C19LOXL2
SCHEMBL4662841 0.80 CYP3A4 (0.45) CYP3A4CYP2C9CYP1A2CYP2C19LOXL2
SCHEMBL8513064 0.80 CYP3A4 (0.55) CYP3A4CYP2C9CYP1A2CYP2C19LOXL2
SCHEMBL4690574 0.80 CYP3A4 (0.45) CYP3A4CYP2C9CYP1A2CYP2C19S1PR1
SCHEMBL11062127 0.80 CYP3A4 (0.45) CYP3A4CYP2C9CYP1A2CYP2C19S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1172878-B1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEM CORP (JP) 2011-06-22 EP claimed
US-20100154880-A1 DYE-SENSITIZED SOLAR CELL, ANODE THEREOF, AND METHOD OF MANUFACTURING THE SAME TAIWAN TEXTILE RESEARCH INSTITUTE (TW) 2010-06-24 US claimed
US-20100154879-A1 Dye-Sensitized Solar Cell, Photo-Sensitized Anode Electrode Thereof, and Method of Manufacturing the Same TAIWAN TEXTILE RESEARCH INSTITUTE (TW) 2010-06-24 US claimed
US-6906069-B1 Diagnosis indicator; anticholesterol agents; antilipemic agents; antidiabtic agents AMGEN INC. (US) 2005-06-14 US claimed
US-6767671-B2 STABILITY; HEAT RESISTANCE MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-27 US claimed
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US claimed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP claimed
US-4005227-A SUBSTITUTED PYRIDINE, SOLUBLE COFFEE FIRMENICH & CIE (CH) 1977-01-25 US claimed
WO-2025233901-A1 ACTIVATORS OF PYRUVATE KINASE ISOFORM M2 AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE BIOHAVEN THERAPEUTICS LTD. (VG) 2025-11-13 WO disclosed
EP-4318630-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2025-10-22 EP disclosed
US-20250213735-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2025-07-03 US disclosed
CN-119751366-A Dual-mechanism deep fungal infection resistant medicament 上海友长医药有限公司 2025-04-04 CN disclosed
CN-119731596-A Photosensitive resin composition, photosensitive resin sheet, cured product, method for producing cured product, semiconductor device, display device, and method for producing resin 东丽株式会社 2025-03-28 CN disclosed
CN-119431313-A Antifungal compound, preparation method and application thereof 上海交通大学 2025-02-14 CN disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 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-20250213735-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R CYP3A4 4773/4885CYP2C9 4575/4885CYP1A2 4022/4885

“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.