SCHEMBL7204528

SCHEMBL7204528

C#CC(O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
NR1I2 O75469 1/20 0.32
SLC22A3 O75751 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
TTR P02766 1/20 0.32
ESR1 P03372 1/20 0.32
ERBB2 P04626 1/20 0.32
LCK P06239 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL7207205 0.76 TSHR (0.38) TSHRCYP3A4
SCHEMBL609775 0.74 TP53 (0.47) TSHRALDH1A1HSD17B10CYP3A4LMNA
SCHEMBL18299890 0.72 CA12 (0.43) TSHRALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL25962595 0.69 TSHR (0.48) TSHRALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL3859125 0.69 ALDH1A1 (0.45) TSHRALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL28477387 0.67
SCHEMBL2421445 0.67 TSHR (0.46) TSHRALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL7203638 0.67 AHR (0.41) TSHRALDH1A1HSD17B10CYP3A4LMNA
SCHEMBL1920526 0.67 TSHR (0.41) TSHRCYP3A4HPGDMEN1KMT2A
SCHEMBL4077910 0.67 ALDH1A1 (0.56) TSHRALDH1A1HSD17B10CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 TSHR 1691/4885ALDH1A1 1476/4885HSD17B10 1947/4885

“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.