SCHEMBL1531133

SCHEMBL1531133

CC(C)(C)c1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
THRB P10828 9/20 0.35
THRA P10827 8/20 0.35
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
MAPK14 Q16539 2/20 0.32
KDR P35968 1/20 0.32
TNNI3K Q59H18 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.31
UGT1A1 P22309 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
GLP1R P43220 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
SCHEMBL1531076 0.82 DHODH (0.39) GABRA2GABRB2THRBTHRAMAPT
SCHEMBL1531388 0.82 GABRB3 (0.36) GABRA2GABRB2THRBTHRAMAPK14
SCHEMBL1531172 0.81 THRA (0.39) GABRA2GABRB2THRBTHRAMAPT
SCHEMBL1531105 0.79 THRA (0.41) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL13325365 0.78 THRA (0.35) GABRA2GABRB2THRBTHRAMAPT
SCHEMBL1531412 0.75 ALDH1A1 (0.42) GABRA2GABRB2THRBTHRAKMT2A
SCHEMBL1531138 0.75 DHODH (0.36) GABRA2GABRB2THRBTHRACYP1A2
SCHEMBL1531374 0.75 MAPK1 (0.48) GABRA2GABRB2THRBTHRAMAPT
SCHEMBL1531066 0.75 THRB (0.48) THRBTHRA
SCHEMBL13387116 0.75 THRB (0.38) THRBTHRAMAPTMAPK14KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 EP 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 (2 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 GABRA2 2297/4885GABRB2 1550/4885THRB 2787/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 GABRA2 2297/4885GABRB2 1550/4885THRB 2787/4885

“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.