SCHEMBL2107965

SCHEMBL2107965

Cc1[c]c(C)c(-c2ccco2)c(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
CFTR P13569 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL1949947 0.93 CFTR (0.33) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL17554966 0.87 PIK3R1 (0.33) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL17554905 0.85 KDM4E (0.33) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL17554824 0.80 PIK3R1 (0.35) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL2106652 0.78 MAOB (0.36) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL2105821 0.77
SCHEMBL2105845 0.77
SCHEMBL2105896 0.76 ERN1 (0.30)
SCHEMBL2106143 0.76 AR (0.33)
SCHEMBL2106955 0.76

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-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS MITSUI CHEMICALS, INC (JP) 2009-06-25 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-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 ALDH1A1 406/4885KDM4E 2037/4885MEN1 485/4885

“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.