SCHEMBL698873

SCHEMBL698873

COc1c(Cl)cccc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NOTUM Q6P988 1/20 0.46
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TOP1 P11387 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LCLAT1 Q6UWP7 1/20 0.41
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ABCB11 O95342 1/20 0.40

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
SCHEMBL28710222 0.86 SMN1; SMN2 (0.46) ALDH1A1KDM4EHSD17B10KMT2ANPC1
SCHEMBL477714 0.85 TSHR (0.57) ALDH1A1KDM4EHSD17B10NOTUMKMT2A
SCHEMBL5011915 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10NOTUMKMT2A
SCHEMBL16955261 0.84 KDM4E (0.41) ALDH1A1KDM4EHSD17B10NOTUMKMT2A
SCHEMBL3927359 0.83 KDM4E (0.46) ALDH1A1KDM4EHSD17B10NOTUMKMT2A
SCHEMBL3327287 0.83 NR4A2 (0.51) ALDH1A1KDM4EHSD17B10NOTUMKMT2A
Hydrochloric Acid SCHEMBL11052815 0.83 TSHR (0.55) ALDH1A1KDM4EHSD17B10NOTUMKMT2A
SCHEMBL31743116 0.80 APEX1 (0.49) ALDH1A1KDM4EHSD17B10KMT2ANPC1
SCHEMBL1261117 0.80 KMT2A (0.43) ALDH1A1KDM4EHSD17B10NOTUMKMT2A
SCHEMBL10553142 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10NOTUMKMT2A

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 15 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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885KDM4E 574/4885HSD17B10 4048/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885KDM4E 574/4885HSD17B10 4048/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885KDM4E 574/4885HSD17B10 4048/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885KDM4E 574/4885HSD17B10 4048/4885

“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.