SCHEMBL3731523

SCHEMBL3731523

FC=C(c1ccccc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 4/20 0.48
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ TSHR P16473 2/20 0.35
▸ CES2 O00748 2/20 0.35
▸ DAO P14920 1/20 0.35
▸ NAPRT Q6XQN6 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL20919883 0.81 CES1 (0.48) CES1ALDH1A1TSHRCES2DAO
SCHEMBL19056948 0.81 PTGS1 (0.35) —
SCHEMBL28269583 0.81 CES1 (0.48) CES1ALDH1A1TSHRCES2DAO
SCHEMBL19074125 0.81 PTGS1 (0.35) —
SCHEMBL19056947 0.81 PTGS1 (0.35) —
SCHEMBL19217144 0.81 PTGS1 (0.35) —
SCHEMBL3256889 0.79 PTGS1 (0.49) CES1CES2PTPN1NPC1RAB9A
SCHEMBL15137342 0.79 CES1 (0.46) CES1ALDH1A1TSHRCES2DAO
SCHEMBL15137388 0.79 CES1 (0.46) CES1ALDH1A1TSHRCES2DAO
SCHEMBL15137389 0.79 CES1 (0.46) CES1ALDH1A1TSHRCES2DAO

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-8293774-B2 Optically active (R)-aryloxypropionic acid amides and herbicidal composition comprising same KYUNG NONG CORPORATION (KR) 2012-10-23 — — US claimed
US-20100279871-A1 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME KYUNG NONG CORPORATION (KR) 2010-11-04 — — US claimed
US-8293774-B2 Optically active (R)-aryloxypropionic acid amides and herbicidal composition comprising same KYUNG NONG CORPORATION (KR) 2012-10-23 — — US disclosed
US-20100279871-A1 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME KYUNG NONG CORPORATION (KR) 2010-11-04 — — 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-20100279871-A1 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME AADAC, DDT, NOTUM CES1 380/4885MAOA 158/4885MAOB 298/4885

“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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