SCHEMBL10200417

SCHEMBL10200417

COCOc1ccc(C(=O)O)cc1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
TSHR P16473 3/20 0.50
TPMT P51580 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
XDH P47989 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7935201 0.87 EGFR (0.51) EGFRTSHRTPMTCA12CA1
SCHEMBL28183665 0.86 MGLL (0.52) EGFRCA12CA1CA2CA7
SCHEMBL31156176 0.86 MGLL (0.52) EGFRCA12CA1CA2CA7
SCHEMBL3480035 0.85 TSHR (0.63) EGFRTSHRTPMTCA12CA1
SCHEMBL16382251 0.84 ESR1 (0.43) EGFRTSHRCA12CA1CA2
SCHEMBL4948306 0.83 TSHR (0.66) TSHRTPMTCA12CA1CA2
SCHEMBL3480458 0.83 TSHR (0.61) EGFRTSHRTPMTCA12CA1
SCHEMBL6568030 0.82 TSHR (0.73) EGFRTSHRTPMTCA12CA1
SCHEMBL3046092 0.82 CA12 (0.71) EGFRTSHRTPMTCA12CA1
SCHEMBL30010958 0.81 TPMT (0.69) TSHRTPMTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505979-B2 Polymerizable liquid crystal compounds, liquid crystal composition comprising the compounds, and optical film comprising the composition LG CHEM, LTD. (KR) 2016-11-29 US disclosed
US-9416317-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optical anisotropic body LG CHEM, LTD. (KR) 2016-08-16 US disclosed
US-9416317-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optical anisotropic body LG CHEM, LTD. (KR) 2016-08-16 US disclosed
US-20160200977-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICAL FILM COMPRISING THE COMPOSITION (As Amended) LG CHEM, LTD. (KR) 2016-07-14 US disclosed
US-20160024385-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICAL ANISOTROPIC BODY LG CHEM, LTD. (KP) 2016-01-28 US disclosed
US-20160024385-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICAL ANISOTROPIC BODY LG CHEM, LTD. (KP) 2016-01-28 US disclosed
US-9206355-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optically anisotropic body LG CHEM, LTD. (KR) 2015-12-08 US disclosed
US-9206355-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optically anisotropic body LG CHEM, LTD. (KR) 2015-12-08 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed
WO-2015046825-A2 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND OPTICAL FILM COMPRISING SAME 주식회사 엘지화학 2015-04-02 WO disclosed
EP-2824162-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICAL ANISOTROPIC BODY LG Chem, Ltd. (KR) 2015-01-14 EP disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 EGFR 1224/4885TSHR 3563/4885TPMT 379/4885

“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.