SCHEMBL3116286

SCHEMBL3116286

CC(=O)c1ccc(C(=O)O)c(Cl)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP1A2 P05177 2/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MYC P01106 3/20 0.40
NR4A1 P22736 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CLCN2 P51788 2/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MT-CO2 P00403 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38
PLA2G1B P04054 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL2496346 0.92 CYP1A2 (0.41) TSHRCYP1A2CASP1SMN1; SMN2MYC
SCHEMBL3117998 0.82 CYP1A2 (0.48) TSHRCYP1A2SMN1; SMN2MYCALDH1A1
SCHEMBL7924637 0.81 TSHR (0.47) TSHRCYP1A2CASP1SMN1; SMN2MYC
SCHEMBL108571 0.81 TSHR (0.52) TSHRCYP1A2CASP1SMN1; SMN2MYC
SCHEMBL28196648 0.81 SLC6A4 (0.45) TSHRSMN1; SMN2CLCN2CYP3A4KMT2A
SCHEMBL3112547 0.79 CYP1A2 (0.41) CYP1A2MYCALDH1A1CYP3A4HPGD
SCHEMBL18542465 0.79 TSHR (0.45) TSHRCYP1A2CASP1SMN1; SMN2ALDH1A1
SCHEMBL6238744 0.79 CYP1A2 (0.41) TSHRCYP1A2CASP1SMN1; SMN2MYC
SCHEMBL22114181 0.78 MAOB (0.42) TSHRSMN1; SMN2ALDH1A1CLCN2LMNA
SCHEMBL1579108 0.78 KDM4E (0.46) TSHRCYP1A2CASP1SMN1; SMN2MYC

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-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 WO 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-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 TSHR 953/4885CYP1A2 14/4885CASP1 956/4885

“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.