SCHEMBL12858786

SCHEMBL12858786

Cc1cc(C(F)(F)F)c(C)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MPL P40238 2/20 0.34
HSD11B1 P28845 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DAO P14920 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
AR P10275 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 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
SCHEMBL24244885 0.81
SCHEMBL21479595 0.78 MPL (0.37) HPGDHSD17B10MPLHSD11B1MRGPRX1
SCHEMBL22733824 0.78 HPGD (0.34) HPGDHSD17B10MPL
SCHEMBL21479580 0.78 HPGD (0.34) HPGDHSD17B10MPLHSD11B1MRGPRX1
SCHEMBL14817559 0.77 ALDH1A1 (0.37) HPGDHSD17B10ALDH1A1HTTNPSR1
SCHEMBL28122704 0.76 HPGD (0.33) HPGDHSD17B10MPLHSD11B1HDAC3
SCHEMBL28123347 0.76 HSD17B10 (0.41) HPGDHSD17B10MPLALDH1A1MEN1
SCHEMBL24464087 0.76 HSD17B10 (0.41) HPGDHSD17B10MPLALDH1A1MEN1
SCHEMBL8538414 0.75 ALDH1A1 (0.32) ALDH1A1DAOMEN1KMT2AHTT
SCHEMBL16801386 0.73 P2RX7 (0.36) HPGDHSD17B10MPLHSD11B1MRGPRX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
US-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA LTD (CH) 2017-11-09 US disclosed
US-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA LTD (CH) 2017-11-09 US disclosed
US-9809596-B1 Method for preparation of fluoro, chloro and fluorochloro alkylated compounds by homogeneous catalysis LONZA LTD. (CH) 2017-11-07 US disclosed
US-9809596-B1 Method for preparation of fluoro, chloro and fluorochloro alkylated compounds by homogeneous catalysis LONZA LTD. (CH) 2017-11-07 US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 US disclosed
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides BASF SE (DE) 2011-02-24 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 (3 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-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS AOC1, HDHD5, DDT HPGD 3926/4885HSD17B10 4478/4885MPL 419/4885
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides STS, TST, TPST2 HPGD 3398/4885HSD17B10 3931/4885MPL 3436/4885
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY ACHE, DDT, CAT HPGD 656/4885HSD17B10 1581/4885MPL 3770/4885

“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.