SCHEMBL6049262

SCHEMBL6049262

C#CCOCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
IDO1 P14902 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2A P28223 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL16085871 0.88 IDO1 (0.52) IDO1TSHRTDP1HTR2A
SCHEMBL9574242 0.86 TDP1 (0.47) IDO1TSHRTDP1
SCHEMBL3821073 0.82 TSHR (0.54) ALDH1A1CA1CA2CA9IDO1
SCHEMBL20423790 0.80 NAAA (0.53) ALDH1A1CA1CA2CA9IDO1
SCHEMBL10635308 0.80 LOXL2 (0.42) ALDH1A1HSD17B10TDP1LOXL2
SCHEMBL198134 0.79 TSHR (0.52) ALDH1A1TAAR1CA1CA2CA9
SCHEMBL9411326 0.79 CA1 (0.46) ALDH1A1TAAR1CA1CA2CA9
SCHEMBL4180174 0.79 TSHR (0.50) TSHRTDP1
SCHEMBL470893 0.78 TSHR (0.61) ALDH1A1CA1CA2CA9IDO1
SCHEMBL7038839 0.77 CA1 (0.50) ALDH1A1TAAR1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013737-A Hypotensive, anxiolytic, cognitive disorders AMERICAN CYANAMID COMPANY (US) 1991-05-07 US claimed
CN-114276247-A 1,5-enyne ester chiral compound and synthesis method thereof 华中师范大学 2022-04-05 CN disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
US-9302970-B2 Process for preparation of alkynyl carboxylic acids COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-04-05 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
US-20150025269-A1 PROCESS FOR PREPARATION OF ALKYNYL CARBOXYLIC ACIDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-22 US disclosed
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-10-30 US disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed
US-5021411-A Tranquilizers, anticonvulsants HOFFMANN-LA ROCHE INC. (US) 1991-06-04 US disclosed
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed
EP-0181709-B1 DICHLOROANILINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-09 EP disclosed
EP-0357043-A2 Imidazodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-03-07 EP disclosed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 EP 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 (3 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 ALDH1A1 3053/4885TAAR1 32/4885CA1 1032/4885
US-20150025269-A1 PROCESS FOR PREPARATION OF ALKYNYL CARBOXYLIC ACIDS CPS1, ALDH7A1, ACACA ALDH1A1 35/4885TAAR1 1649/4885CA1 108/4885
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 ALDH1A1 1887/4885TAAR1 409/4885CA1 694/4885

“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.