SCHEMBL4138448

SCHEMBL4138448

N#CCN(OC(F)(F)F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.36
MLYCD O95822 1/20 0.35
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27807275 0.76 SLC6A4 (0.35) MAOBMEN1ALDH1A1KMT2A
SCHEMBL14058643 0.76 TSHR (0.38) MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28613980 0.74 ALDH1A1 (0.37) MEN1ALDH1A1KMT2A
SCHEMBL9780415 0.70 FAAH (0.37) MEN1ALDH1A1KMT2A
SCHEMBL8144722 0.70 SMN1; SMN2 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL9780348 0.69 LTA4H (0.38) MEN1ALDH1A1KMT2A
SCHEMBL198720 0.69 MAOB (0.39) POLQMLYCDMAOBALDH1A1
SCHEMBL23929831 0.68 LTA4H (0.37) POLQMLYCDMEN1KMT2A
SCHEMBL154454 0.68 CRHBP (0.43) POLQMAOBALDH1A1
SCHEMBL4376415 0.68 ALDH1A1 (0.36) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143454-A1 Pyrazoline Derivatives and Their Use As Pesticides BAYER CROPSCIENCE AG (DE) 2009-06-04 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-20090143454-A1 Pyrazoline Derivatives and Their Use As Pesticides DDT, CHRM1, CHRM2 POLQ 4192/4885MLYCD 542/4885MAOB 1115/4885

“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.