SCHEMBL1309880

SCHEMBL1309880

CC(C)(C)Cc1cc(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
CYP3A4 P08684 5/20 0.39
IDO1 P14902 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
MAPT P10636 2/20 0.39
CASP1 P29466 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC22A1 O15245 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSPD1 P10809 1/20 0.39
HSPA5 P11021 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6886022 0.83 GGPS1 (0.55) TP53NR3C1NR3C2CYP3A4IDO1
SCHEMBL12791096 0.81 MEN1 (0.42) NR3C1NR3C2CYP3A4IDO1MEN1
SCHEMBL8845162 0.81 CYP3A4 (0.43) CYP3A4IDO1MEN1KMT2AUSP2
SCHEMBL16425426 0.81 HTR2A (0.39) MEN1KMT2AUSP2MAPTLMNA
SCHEMBL11417753 0.80 TP53 (0.44) TP53NR3C1NR3C2CYP3A4IDO1
SCHEMBL12562215 0.79 TP53 (0.39) TP53NR3C1NR3C2CYP3A4IDO1
SCHEMBL20782018 0.79 ESR1 (0.47) LMNAALOX15HTTALDH1A1HSD17B10
SCHEMBL19544101 0.79 NR3C1 (0.45) NR3C1NR3C2SLC6A4SLC6A2SLC6A3
SCHEMBL15943530 0.79 RIPK1 (0.33) TP53CYP3A4IDO1MEN1KMT2A
SCHEMBL9917352 0.77 CYP3A4 (0.39) TP53CYP3A4IDO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-20120022040-A1 ANTIMICROBIALS AMPLYX PHARMACEUTICALS, INC. 2012-01-26 US disclosed
EP-2390244-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275780-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMCIAL COMPANY LIMITED 2011-11-10 US disclosed
US-20110256626-A1 METHOD FOR PRODUCING INDUCED PLURIPOTENT STEM CELLS WITH HIGH EFFICIENCY AND INDUCED POLURIPOTENT STEM CELLS PROUCED THEREBY SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2011-10-20 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20090264498-A1 Cathepsin C Inhibitors GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
US-20090264498-A1 Cathepsin C Inhibitors GLAXO GROUP LIMITED (GB) 2009-10-22 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-20120022040-A1 ANTIMICROBIALS PAM, MPO, OXA1L TP53 4133/4885NR3C1 3920/4885NR3C2 2804/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 TP53 2287/4885NR3C1 2239/4885NR3C2 2274/4885
US-20090264498-A1 Cathepsin C Inhibitors CTSF, CTSZ, CTSG TP53 2871/4885NR3C1 3475/4885NR3C2 3609/4885

“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.