SCHEMBL1811178

SCHEMBL1811178

CCCCc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.73
▸ ALDH1A1 P00352 3/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ RARA P10276 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ MTOR P42345 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ PLK1 P53350 1/20 0.54
▸ FFAR1 O14842 2/20 0.53
▸ THRA P10827 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ RARG P13631 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.51
▸ ACACB O00763 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL2402922 0.98 RARB (0.71) RARBALDH1A1MEN1RARAMAPT
SCHEMBL2858924 0.91 RARB (0.61) RARBALDH1A1MEN1RARAMAPT
SCHEMBL181230 0.89 RARB (0.89) RARBALDH1A1MEN1RARAMAPT
SCHEMBL2858458 0.88 RARB (0.57) RARBALDH1A1MEN1RARAMAPT
SCHEMBL10877876 0.88 RARB (0.86) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9337767 0.88 RARB (0.86) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8845810 0.88 RARB (0.86) RARBALDH1A1MEN1RARAMAPT
SCHEMBL5448932 0.88 RARB (0.86) RARBALDH1A1MEN1RARAMAPT
Hydrochloric Acid SCHEMBL6300855 0.88 RARB (0.86) RARBALDH1A1MEN1RARAMAPT
Methyl Alcohol SCHEMBL38654545 0.88 RARB (0.86) RARBALDH1A1MEN1RARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1997638-B 1,1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP1-B inhibitors APPLIED RESEARCH SYSTEMS 2011-07-06 — — CN disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 — — US disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 — — US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — US disclosed
CN-1997638-A 1, 1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP 1-B inhibitors APPLIED RESEARCH SYSTEMS (AN) 2007-07-11 — — CN disclosed
EP-1756081-A1 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2007-02-28 — — EP disclosed
US-7108896-B2 Method of increasing helical twisting power, optically active compound, liquid crystal compostion containing the same, and liquid crystal display device DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-09-19 — — US disclosed
WO-2005097773-A1 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 — — WO disclosed
US-20040021128-A1 Method of increasing helical twisting power, optically active compound, liquid crystal composition containing the same, and liquid crystal display device DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-02-05 — — 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-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 RARB 2507/4885ALDH1A1 378/4885MEN1 3694/4885

“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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