SCHEMBL3033582

SCHEMBL3033582

CCc1cc(O)ccc1C(Cl)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ HSD17B3 P37058 1/20 0.39
▸ ESR1 P03372 5/20 0.36
▸ ESR2 Q92731 5/20 0.36
▸ TYR P14679 4/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ HSD17B1 P14061 2/20 0.36
▸ ESRRB O95718 1/20 0.36
▸ ESRRA P11474 1/20 0.36
▸ ANPEP P15144 1/20 0.36

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
SCHEMBL11032018 0.82 HSD17B10 (0.42) GABRA1GABRB2HSD17B3ESR1ESR2
SCHEMBL11681090 0.82 TYR (0.52) GABRA1GABRB2HSD17B3ESR1ESR2
SCHEMBL18179313 0.80 KIF11 (0.43) GABRA1GABRB2HSD17B3ESR1ESR2
SCHEMBL3033579 0.78 CYP3A4 (0.34) GABRA1GABRB2CYP3A4TSHRTDP1
SCHEMBL13126794 0.76 ESR1 (0.52) ESR1ESR2TYRALDH1A1LMNA
SCHEMBL4634692 0.73 TYR (0.57) GABRA1GABRB2HSD17B3ESR1ESR2
SCHEMBL30979257 0.73 TYR (0.48) GABRA1GABRB2HSD17B3ESR1ESR2
SCHEMBL1724358 0.73 TYR (0.48) GABRA1GABRB2HSD17B3ESR1ESR2
SCHEMBL3034398 0.73 CYP3A4 (0.31) CYP3A4TSHRTDP1
SCHEMBL3034400 0.73 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MAPTTSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 — — CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 — — EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 — — EP disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 — — CN disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 — — US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 — — US disclosed
CN-101321529-B Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD 2012-09-05 — — CN disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
CN-101522657-A STAT3/5 activation inhibitor OTSUKA PHARMA CO LTD (JP) 2009-09-02 — — CN disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 — — EP disclosed
CN-101321529-A Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD (JP) 2008-12-10 — — CN disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 — — EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 — — WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 — — CN disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 — — EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 — — 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 GABRA1 2492/4885GABRB2 3414/4885HSD17B3 1379/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 GABRA1 2556/4885GABRB2 2790/4885HSD17B3 3151/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 GABRA1 2140/4885GABRB2 2576/4885HSD17B3 954/4885

“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.

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