SCHEMBL3346153

SCHEMBL3346153

O=C1c2ccccc2CCC1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.51
CES1 P23141 1/20 0.48
ACHE P22303 2/20 0.46
SIGMAR1 Q99720 4/20 0.44
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HTR1A P08908 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL29604926 1.00 CYP19A1 (0.51) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL2592601 0.89 MAOA (0.50) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL1332811 0.82 CYP19A1 (0.53) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL13039620 0.79 DRD2 (0.56) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL296403 0.79 ACHE (0.59) CYP19A1CES1ACHEKDM4EMAPT
SCHEMBL29752636 0.79 ACHE (0.59) CYP19A1CES1ACHEKDM4EMAPT
SCHEMBL15624255 0.78 ACHE (0.49) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL11819054 0.78 CYP19A1 (0.53) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL1094690 0.78 CYP19A1 (0.53) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL30707960 0.78 CYP19A1 (0.53) CYP19A1CES1ACHESIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021038581-A1 A ONE STEP SYNTHESIS OF 2-SUBSTITUTED BENZO[B]THIOPHENES INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IIT Madras) (IN) 2021-03-04 WO claimed
CN-109293672-B 3, 4-dihydro-1H-spiro [ naphthalene-2, 1' -thienochromene ] derivative and synthesis method and application thereof 浙江师范大学 2021-02-19 CN claimed
CN-104591988-A Method for synthesizing 6-bromo-2-tetralone GANSU RES INST OF CHEMICAL INDUSTRY 2015-05-06 CN claimed
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US claimed
EP-0125695-B1 2-BROMO-1-TETRALONE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 1987-07-22 EP claimed
EP-0125695-A2 2-Bromo-1-tetralone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1984-11-21 EP claimed
JP-59210039-A None JP disclosed
JP-59163317-A None JP disclosed
US-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. (US) 2024-01-18 US disclosed
US-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. (US) 2024-01-18 US disclosed
CN-117142938-A Method for preparing 1, 4-naphthoquinone compound by selectively oxidizing aromatic ketone 大连理工大学 2023-12-01 CN disclosed
CN-116023200-B Method for preparing methylene compound by reduction of aromatic aldehyde (ketone) compound 江西扬帆新材料有限公司 2023-07-25 CN disclosed
CN-116023200-A Method for preparing methylene compound by reduction of aromatic aldehyde (ketone) compound 浙江扬帆新材料股份有限公司 2023-04-28 CN disclosed
US-4174397-A TREATMENT OF OBESITY AND LIPID METABOLISM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-13 US disclosed
US-3985731-A MICROBIOCIDES, MOTOR ACTIVITY INDUCERS, CNS STIMULANTS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 US disclosed
US-3970650-A DRUG INTERMEDIATE A. CHRISTIAENS SOCIETE ANONYME (BE) 1976-07-20 US disclosed
US-3970650-A DRUG INTERMEDIATE A. CHRISTIAENS SOCIETE ANONYME (BE) 1976-07-20 US disclosed
US-3959308-A Substituted naphtho pyrazoles SANDOZ, INC. (US) 1976-05-25 US disclosed
US-3954983-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed
US-3932430-A Substituted indeno, naphtho and cyclohepta pyrazoles SANDOZ, INC. (US) 1976-01-13 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-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE PINK1, NME4, AK2 CYP19A1 4264/4885CES1 1914/4885ACHE 1644/4885

“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.