SCHEMBL2107496

SCHEMBL2107496

Cc1[c]c(C)c(-c2ccccc2Cl)c(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
AR P10275 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PDK2 Q15119 1/20 0.31
POLB P06746 1/20 0.31
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL1951017 0.93 HSD11B1 (0.37) HSD11B1ARKDM4EALDH1A1KMT2A
SCHEMBL17554989 0.87 HSD11B1 (0.33) HSD11B1ARKDM4EALDH1A1KMT2A
SCHEMBL2106955 0.86
SCHEMBL2106143 0.86 AR (0.33) ARPDK2
SCHEMBL2107160 0.86 HSD11B1 (0.36) HSD11B1KDM4E
SCHEMBL2106563 0.85
SCHEMBL2107348 0.85 HSD11B1 (0.35) HSD11B1
SCHEMBL17554991 0.85 HSP90AA1 (0.34) HSD11B1
SCHEMBL2106566 0.84
SCHEMBL17554810 0.83 CNR2 (0.32) HSD11B1PDK2

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 HSD11B1 1240/4885AR 3684/4885KDM4E 2037/4885

“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.