SCHEMBL128560

SCHEMBL128560

[CH2]CCCc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.59
CYP1A2 P05177 2/20 0.58
CYP2A6 P11509 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
SLC6A4 P31645 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
BCHE P06276 2/20 0.44
MC3R P41968 1/20 0.44
MC1R Q01726 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
SCHEMBL1487677 0.94 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL133399 0.94 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL129049 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL1610472 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL1610345 0.92 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL27523237 0.90 SIGMAR1 (0.54) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL1611323 0.88 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL128640 0.87 CYP1A2 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30746339 0.87 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30418669 0.87 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023513-A9 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-06-01 WO claimed
WO-2023023513-A1 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-02-23 WO claimed
CN-112479875-A Method for preparing alpha-oxo-carboxylic ester by selective oxidation of alpha-hydroxy-carboxylic ester 厦门大学 2021-03-12 CN claimed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US claimed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US claimed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP claimed
US-20240218233-A1 AQUEOUS GELLABLE COMPOSITION AND PIPELINE PIGS OBTAINED THEREFROM HALLIBURTON ENERGY SERVICES, INC. (US) 2024-07-04 US disclosed
WO-2024137036-A1 AQUEOUS GELLABLE COMPOSITION AND PIPELINE PIGS OBTAINED THEREFROM HALLIBURTON ENERGY SERVICES, INC. (US) 2024-06-27 WO disclosed
US-20240191108-A1 TWO COMPONENT (2K) CURABLE ADHESIVE COMPOSITION HENKEL AG & CO KGAA (DE) 2024-06-13 US disclosed
WO-2024108186-A2 PRODUCTION OF HYDROGEN FROM CARBOHYDRATES USING VIOLOGEN CATALYSTS WATT POWER INC. (US) 2024-05-23 WO disclosed
CN-117860758-A Combination therapy 梅制药公司 2024-04-12 CN disclosed
CN-112368317-B Highly reactive double metal cyanide compounds 汉高股份有限及两合公司 2024-04-02 CN disclosed
US-20240065267-A1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE BY APPLYING THE SAME MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2024-02-29 US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
US-4783562-A Process for the preparation of trichloromethyl-substituted aromatic compounds, and trichloromethyl-substituted aromatic compounds obtained in this process BAYER AKTIENGESELLSCHAFT (DE) 1988-11-08 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
EP-0061029-B1 PROCESS FOR THE PREPARATION OF TRICHLOROMETHYL-SUBSTITUTED AROMATIC COMPOUNDS BAYER AG (DE) 1986-01-08 EP disclosed
US-4379927-A Process for the preparation of imidazoleacetic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1983-04-12 US disclosed
EP-0061029-A1 Process for the preparation of trichloromethyl-substituted aromatic compounds BAYER AG (DE) 1982-09-29 EP disclosed
US-4104036-A TO IMPROVE OCTANE RATING ATLANTIC RICHFIELD COMPANY (US) 1978-08-01 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 (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-20240065267-A1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE BY APPLYING THE SAME SNX1, HAX1, BROX SIGMAR1 2455/4885CYP1A2 1513/4885CYP2A6 3516/4885
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 SIGMAR1 675/4885CYP1A2 583/4885CYP2A6 23/4885

“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.