SCHEMBL6841220

SCHEMBL6841220

O=[C]OCCSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
DAO P14920 1/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
IDO1 P14902 2/20 0.38
PPARD Q03181 5/20 0.38
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL6513573 0.77 ALDH1A1 (0.46) DRD2CYP1A2CYP3A4CYP2C19
SCHEMBL6841221 0.76 HRH3 (0.43) HRH3DAOHTR1ADRD2HTR2A
SCHEMBL5539632 0.76 ALDH1A1 (0.56) KMT2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2095615 0.75 TAAR1 (0.50) DAOIDO1PPARDPPARAKMT2A
SCHEMBL9781893 0.74 DAO (0.44) HRH3DAOHTR1ADRD2HTR2A
SCHEMBL2096837 0.72 TAAR1 (0.47) DAOIDO1KMT2A
SCHEMBL5539359 0.72 CYP1A2 (0.44) PPARACYP1A2
SCHEMBL5539362 0.72 CYP1A2 (0.44) PPARACYP1A2
SCHEMBL23867049 0.72 HRH3 (0.49) HRH3DAOHTR1ADRD2HTR2A
SCHEMBL4190589 0.72 HRH3 (0.49) HRH3DAOHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759511-B2 A CARBONIC ACID 4-NITRO-PHENYL ESTER 2-(4-TRIFLULOROMETHYL-PHENYLSULFANYL)-ETHYL ESTER AS CHEMICAL INTERMEDIATES; AMIDATION, CARBOXYLATION, SULFONATION HANCHEM CO., LTD. (KR) 2004-07-06 US disclosed
US-20030220469-A1 Novel compound used as an amino-protecting group, process for preparing the same, and synthetic method of a peptide using the same HANCHEM CO., LTD. (KR) 2003-11-27 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-20030220469-A1 Novel compound used as an amino-protecting group, process for preparing the same, and synthetic method of a peptide using the same NGLY1, VIP, BCAT2 HRH3 3532/4885DAO 21/4885HTR1A 3760/4885

“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.