SCHEMBL363054

SCHEMBL363054

[CH2]Cc1ccc(CCCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CA1 P00915 1/20 0.54
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL1609476 0.93 ESR1 (0.59) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL2915276 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL9753538 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL1611473 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL677469 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL698308 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL7530233 0.91 ESR1 (0.63) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL83869 0.87 CA2 (0.65) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL1610421 0.85 CA2 (0.54) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL97681 0.85 CA2 (0.54) CA2CA1ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015651-B Compounds and compositions as TLR activity modulators IRM LLC 2014-12-31 CN claimed
CN-101367819-B 5-substituent-2-(4-substituted phenyl)-6,7-dihydrogen pyrazole-[1,5-a]pyrazine-4(5H)-ketone derivant and uses thereof UNIV SHANDONG 2010-08-18 CN claimed
CN-101633675-A Preparation and application of 5-substituent group-6-substituent phenyl-2-ferrocenyl pyrazolo [1, 5-a] pyrazine-4(5H)-ketone derivative UNIV SHANDONG 2010-01-27 CN claimed
CN-101367819-A 5-substituent-2-(4-substituted phenyl)-6,7-dihydrogen pyrazole-[1,5-a]pyrazine-4(5H)-ketone derivant and uses thereof UNIV SHANDONG (CN) 2009-02-18 CN claimed
WO-2024122629-A1 DYE FOR DYING USING SUPERCRITICAL CARBON DIOXIDE 紀和化学工業株式会社 2024-06-13 WO disclosed
CN-115210239-A Aromatic compound, organic semiconductor layer and organic thin film transistor 东曹株式会社 2022-10-18 CN disclosed
EP-3847179-A1 MULTIFUNCTIONAL BISACYLPHOSPHINE OXIDE PHOTOINITIATORS IGM Resins Italia S.r.l. (IT) 2021-07-14 EP disclosed
EP-3824009-A1 IONICALLY HYDROPHILIZED POLYISOCYANATES WITH IMPROVED DRYING Covestro Intellectual Property GmbH & Co. KG (DE) 2021-05-26 EP disclosed
WO-2020016116-A1 IONICALLY HYDROPHILIZED POLYISOCYANATES WITH IMPROVED DRYING COVESTRO DEUTSCHLAND AG (DE) 2020-01-23 WO disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed
CN-106866664-A A kind of synthetic method of 6 Phenylindoles [2,1 a] isoquinoline compound 华南理工大学 2017-06-20 CN disclosed
US-4988681-A Dipeptidase inhibitore; reducing renal toxicity; prevention deactivation of (carba)penem antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US disclosed
US-4863634-A LIQUID CRYSTALS BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0075173-B1 ANTHRAQUINONE DYES BAYER AG (DE) 1987-04-01 EP disclosed
EP-0026742-B1 DIAZAPHOSPHOLANES AND DIAZAPHOSPHORINANES, THEIR USE AS PROTECTING AGENTS AGAINST LIGHT AND MATERIAL STABILIZED THEREWITH CIBA-GEIGY AG (CH) 1983-04-13 EP disclosed
EP-0075173-A2 Anthraquinone dyes BAYER AG (DE) 1983-03-30 EP disclosed
US-4322531-A Diazaphospholanes and diazaphosphorinanes CIBA-GEIGY CORPORATION (US) 1982-03-30 US disclosed
EP-0026742-A1 Diazaphospholanes and diazaphosphorinanes, their use as protecting agents against light and material stabilized therewith CIBA-GEIGY AG (CH) 1981-04-08 EP disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CA2 173/4885CA1 719/4885ALDH1A1 151/4885

“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.