SCHEMBL2770320

SCHEMBL2770320

O=C(O)c1ccc(-c2ccc(C(=O)O)c(Cl)c2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
CASP1 P29466 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
XDH P47989 1/20 0.60
ALDH1A1 P00352 2/20 0.54
PDK2 Q15119 1/20 0.53
MYC P01106 1/20 0.52
NR4A1 P22736 1/20 0.52
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
AKR1C2 P52895 4/20 0.50
AKR1C1 Q04828 4/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HNF4A P41235 1/20 0.50
ACMSD Q8TDX5 1/20 0.50
KMO O15229 1/20 0.48

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
SCHEMBL120353 0.92 ACMSD (0.63) TSHRCASP1SMN1; SMN2XDHALDH1A1
SCHEMBL3417670 0.92 TSHR (0.70) TSHRCASP1SMN1; SMN2XDHALDH1A1
SCHEMBL30784621 0.90 XDH (0.60) TSHRCASP1SMN1; SMN2XDHPDK2
SCHEMBL18688873 0.90 XDH (0.60) TSHRCASP1SMN1; SMN2XDHPDK2
SCHEMBL4527705 0.88 XDH (0.55) TSHRCASP1SMN1; SMN2XDHALDH1A1
SCHEMBL6496649 0.88 AKR1C2 (0.68) TSHRCASP1SMN1; SMN2XDHPDK2
SCHEMBL3104322 0.87 XDH (0.57) TSHRCASP1SMN1; SMN2XDHPDK2
SCHEMBL15332044 0.85 XDH (0.52) TSHRCASP1SMN1; SMN2XDHALDH1A1
SCHEMBL2560422 0.85 XDH (0.56) TSHRCASP1SMN1; SMN2XDHPDK2
SCHEMBL17185601 0.85 FTO (0.56) TSHRCASP1SMN1; SMN2XDHPDK2

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-20100323217-A1 MATERIAL FOR AN ELECTRICAL/ELECTRONIC PART AND ELECTRICAL/ELECTRONIC PART THE FURUKAWA ELECTRIC CO., LTD. (JP) 2010-12-23 US disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2248663-A1 MATERIAL FOR ELECTRICAL/ELECTRONIC COMPONENT AND ELECTRICAL/ELECTRONIC COMPONENT The Furukawa Electric Co., Ltd. (JP) 2010-11-10 EP disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-0977209-B1 INSULATED WIRE FURUKAWA ELECTRIC CO LTD (JP) 2006-07-12 EP disclosed
US-6436537-B1 INSULATED WIRES WITH POLYAMIDEIMIDE COPOLYMERS THE FURUKAWA ELECTRIC CO., LTD. (JP) 2002-08-20 US disclosed
EP-0977209-A1 INSULATED WIRE THE FURUKAWA ELECTRIC CO., LTD. (JP) 2000-02-02 EP disclosed
EP-0615527-B1 ARAMID BLOCK COPOLYMERS DU PONT (US) 1999-03-17 EP disclosed
EP-0610379-B1 ARAMID BLOCK COPOLYMERS DU PONT (US) 1998-07-01 EP disclosed
EP-0615527-A1 ARAMID BLOCK COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-09-21 EP disclosed
US-5346985-A Drawable high tensile strength aramids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-09-13 US disclosed
WO-1993011180-A1 ARAMID BLOCK COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-10 WO disclosed
US-5212258-A Tensile strenght E. I DU PONT DE NEMOURS AND COMPANY (US) 1993-05-18 US disclosed
US-5212257-A Aromatic diamines and aromatic dicarboxylic acids condensation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-18 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 (2 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TSHR 3644/4885CASP1 1288/4885SMN1; SMN2 2933/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 TSHR 4692/4885CASP1 1789/4885SMN1; SMN2 2822/4885

“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.