SCHEMBL1047899

SCHEMBL1047899

[O]CCCCc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
PNMT P11086 1/20 0.50
AOC3 Q16853 1/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
CHRM2 P08172 2/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
NAAA Q02083 2/20 0.47
DAO P14920 2/20 0.46
CYP3A4 P08684 1/20 0.46
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.46

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
SCHEMBL3030055 0.98 TAAR1 (0.55) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1046533 0.98 TAAR1 (0.55) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1046229 0.94 TAAR1 (0.59) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL31567921 0.87 TAAR1 (0.65) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1079592 0.85 TAAR1 (0.63) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5241228 0.85 TAAR1 (0.68) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14691406 0.82 TAAR1 (0.59) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12040536 0.82 TAAR1 (0.59) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12050856 0.80 TAAR1 (0.74) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3030471 0.80 HTR3E (0.58) TAAR1HTR3EHTR3BHTR3AHTR3D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 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 (4 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAAR1 1385/4885HTR3E 4362/4885HTR3B 3377/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAAR1 1385/4885HTR3E 4362/4885HTR3B 3377/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TAAR1 1102/4885HTR3E 3818/4885HTR3B 3806/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TAAR1 1102/4885HTR3E 3818/4885HTR3B 3806/4885

“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.