SCHEMBL796104

SCHEMBL796104

CN(C)Cc1ccc(-c2ccc(CCl)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.77
TAAR1 Q96RJ0 2/20 0.65
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
BRD4 O60885 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
TTK P33981 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
GRM2 Q14416 1/20 0.44
HRH4 Q9H3N8 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MCHR1 Q99705 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PYCR1 P32322 1/20 0.39
TNKS O95271 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28155717 0.93 HRH3 (0.64) HRH3TAAR1ALDH1A1TSHRBRD4
Hydrochloric Acid SCHEMBL9024973 0.91 HRH3 (0.61) HRH3TAAR1ALDH1A1TSHRBRD4
SCHEMBL12679031 0.88 HRH3 (1.00) HRH3TAAR1ALDH1A1TSHRBRD4
SCHEMBL2056269 0.82 HRH3 (0.77) HRH3TAAR1ALDH1A1TSHRBRD4
(Chloromethyl)Benzene SCHEMBL28778249 0.82 TSHR (0.77) HRH3TAAR1ALDH1A1TSHRPYCR1
SCHEMBL187751 0.80 HRH3 (0.47) HRH3TAAR1TSHRHRH4
SCHEMBL659509 0.80 HRH3 (0.82) HRH3TAAR1ALDH1A1TSHRBRD4
SCHEMBL9456876 0.80 HRH3 (0.47) HRH3TAAR1TSHRHRH4
SCHEMBL23512760 0.79 HRH3 (0.81) HRH3TAAR1ALDH1A1TSHRBRD4
SCHEMBL5915632 0.79 TAAR1 (1.00) HRH3TAAR1ALDH1A1TSHRPYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045400-B2 Fluorinated aromatic bis(acyl)-containing compounds and polyesters prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-02 US disclosed
US-8975436-B2 Fluorinated arylene-containing compounds, methods, and polymers prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-10 US disclosed
US-20140163250-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-06-12 US disclosed
US-20120252997-A1 FLUORINATED ARYLENE-CONTAINING COMPOUNDS, METHODS, AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2012-10-04 US disclosed
US-20120071626-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 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 (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-20140163250-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM NOTUM, FFAR1, FFAR2 HRH3 2974/4885TAAR1 3291/4885ALDH1A1 1934/4885
US-20120071626-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM AFF1, AFF2, FFAR2 HRH3 251/4885TAAR1 1722/4885ALDH1A1 1326/4885
US-20120252997-A1 FLUORINATED ARYLENE-CONTAINING COMPOUNDS, METHODS, AND POLYMERS PREPARED THEREFROM WASF2, PFAS, FLI1 HRH3 2620/4885TAAR1 3094/4885ALDH1A1 1943/4885

“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.