SCHEMBL167715

SCHEMBL167715

CC(C)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.55
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47

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
Hydrogen Peroxide SCHEMBL9581085 0.97 TSHR (0.55) AOC3TSHRPOLBLMNAPKM
Ammonia Solution, Strong SCHEMBL4461727 0.97 AOC3 (0.53) AOC3TSHRPOLBLMNAPKM
SCHEMBL6548106 0.91 CALM1 (0.52) AOC3TSHRPOLBLMNAPKM
Phenol SCHEMBL28856311 0.89 OPRK1 (0.57) AOC3TSHRLMNAPKMCYP1A2
SCHEMBL24141070 0.86 MMP12 (0.53) AOC3ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL8080450 0.86 HTT (0.41) AOC3TSHRHTTSMN1; SMN2OPRK1
SCHEMBL108633 0.85 LMNA (0.54) AOC3LMNAPKMHPGD
SCHEMBL4785593 0.84 TSHR (0.52) TSHRPOLBALDH1A1HPGDCYP1A2
SCHEMBL10697566 0.84 TSHR (0.52) TSHRPOLBALDH1A1HPGDCYP1A2
SCHEMBL105419 0.83 LMNA (0.53) AOC3LMNAPKM

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 1331 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116218615-A Cleaning compositions and methods of use thereof 富士胶片电子材料美国有限公司 2023-06-06 CN claimed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
CN-109574972-A A kind of 3- alkyl substitution -4- chromanone compound and preparation method thereof 郑州大学 2019-04-05 CN claimed
CN-108727904-A Quantum dot ink TCL集团股份有限公司 2018-11-02 CN claimed
CN-104788634-B A kind of preparation method of drilling fluid high temperature resistance modification sulphonation phenolic resin 天津中油渤星工程科技有限公司 2017-11-07 CN claimed
CN-106983671-A Sunscreen agents containing titanium dioxide 拜尔斯道夫股份有限公司 2017-07-28 CN claimed
US-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US claimed
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-17 US claimed
EP-2951179-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS Merck Patent GmbH (DE) 2015-12-09 EP claimed
US-20150276568-A1 MICRO-SCALE LIQUID-LIQUID-LIQUID EXTRACTION UNIVERSITY OF OSLO (NO) 2015-10-01 US claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
US-5073655-A Alkylation of aromatic hydrocarbon with aromatic alklating hal ide, alcohol or olefin, a mixed oxide of silica or germania wi th alumina, boria, iron oxide or gallium oxide MOBIL OIL CORP. (US) 1991-12-17 US claimed
CN-85106701-A 2-substituting group-trimethylene diphosphonate derivatives and the preparation method who contains the formula of medicine of this derivative 1987-03-25 CN claimed
US-4518764-A POLYDIALLYL TEREPHTHALATE ENDCAPPED WITH ALKLARYL HYDROCARBON OSAKA SODA CO. LTD. (JP) 1985-05-21 US claimed
US-4383705-A Pressure-sensitive recording material KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-05-17 US claimed
EP-0002792-A1 3-Aminopropoxyaryl derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1979-07-11 EP claimed
US-4101579-A Phenethanolamine ethers ALLEN & HANBURYS LIMITED (GB) 1978-07-18 US claimed

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-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 AOC3 4707/4885TSHR 839/4885POLB 4700/4885

“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.