SCHEMBL16709852

SCHEMBL16709852

CCCOC(=O)c1ccc(Cl)c(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.52
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ GMNN O75496 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TMIGD3 P0DMS9 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL16714148 0.89 CYP1A2 (0.59) ADORA3LMNANPC1ALDH1A1CYP1A2
SCHEMBL16709851 0.84 ADORA3 (0.52) ADORA3LMNAALDH1A1CYP1A2GMNN
SCHEMBL16728897 0.79 CYP1A2 (0.53) ADORA3LMNAALDH1A1CYP1A2GMNN
SCHEMBL16705800 0.78 ALDH1A1 (0.50) LMNANPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL8405218 0.77 CYP1A2 (0.72) ADORA3LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL16698002 0.76 KDM4E (0.52) LMNAALDH1A1TSHR
SCHEMBL20267745 0.75 CYP1A2 (0.64) ADORA3LMNAALDH1A1CYP1A2TSHR
SCHEMBL11288991 0.75 ALDH1A1 (0.57) ADORA3LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL2833745 0.73 CYP1A2 (0.61) ADORA3LMNANPC1ALDH1A1CYP1A2
SCHEMBL30831837 0.73 LMNA (0.53) ADORA3LMNANPC1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988322-B2 Process for fluorinating compounds DOW AGROSCIENCES LLC (US) 2018-06-05 — — US disclosed
US-9878983-B2 Process for fluorinating compounds DOW AGROSCIENCES LLC (US) 2018-01-30 — — US disclosed
US-20170066721-A1 PROCESS FOR FLUORINATING COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-03-09 — — US disclosed
US-20150133672-A1 PROCESS FOR FLUORINATING COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-05-14 — — 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 (2 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-20170066721-A1 PROCESS FOR FLUORINATING COMPOUNDS NEU4, NMBR, SNRPF ADORA3 2486/4885LMNA 3086/4885NPC1 94/4885
US-20150133672-A1 PROCESS FOR FLUORINATING COMPOUNDS CYP2F1, FLI1, PFAS ADORA3 3828/4885LMNA 2165/4885NPC1 211/4885

“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.

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