SCHEMBL6157714

SCHEMBL6157714

ClC(Oc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
SLC6A4 P31645 3/20 0.41
LTA4H P09960 1/20 0.39
SCN4A P35499 2/20 0.39
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SRD5A2 P31213 1/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
CA4 P22748 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL11849621 0.91 LTA4H (0.50) TSHRLTA4HSRD5A2MAOA
SCHEMBL2987197 0.87 SLC6A4 (0.51) TSHRADRA2ASLC6A4SCN4ASLC6A2
SCHEMBL27395324 0.85 LTA4H (0.48) TSHRLTA4HSLC6A2SLC6A3SRD5A2
SCHEMBL875512 0.85 TSHR (0.39) TSHRADRA2AADRA2BADRA2CSLC6A4
SCHEMBL10888173 0.85 SLC6A4 (0.49) TSHRSLC6A4
SCHEMBL27645334 0.80 ALDH1A3 (0.52) SRD5A2
SCHEMBL10445962 0.80 ALDH1A1 (0.43) TSHRSLC6A4SLC6A2SLC6A3
SCHEMBL5224523 0.80 TSHR (0.35) TSHRADRA2AADRA2BADRA2CSLC6A4
SCHEMBL3155170 0.79 PPARG (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL10855255 0.78 ALDH1A1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979978-B1 NONAQUEOUS ELECTROLYTE INCLUDING DIPHENYL ETHER AND LITHIUM SECONDARY BATTERY USING THEREOF PANAX ETEC CO LTD (KR) 2016-04-06 EP claimed
JP-55089237-A None JP disclosed
CN-105440020-B 1,2,3- triazole class compounds with anti-tumor activity and preparation method thereof 常州大学 2018-12-18 CN disclosed
EP-1979978-B1 NONAQUEOUS ELECTROLYTE INCLUDING DIPHENYL ETHER AND LITHIUM SECONDARY BATTERY USING THEREOF PANAX ETEC CO LTD (KR) 2016-04-06 EP disclosed
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP disclosed
US-5312828-A Substituted imidazoles having angiotensin II receptor blocking activity SMITHKLINE BEECHAM CORPORATION A CORP. OF PENNSYLVANIA 1994-05-17 US disclosed
EP-0009787-B2 PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION BAYER AG (DE) 1986-07-09 EP disclosed
US-4399075-A Process for producing chlorinated phenoxytoluene derivatives ASAHI CHEMICAL COMPANY, LIMITED (JP) 1983-08-16 US disclosed
US-4353736-A CROPS OF BARLEY, WHEAT, CORN, RICE OR COATS CIBA-GEIGY CORPORATION (US) 1982-10-12 US disclosed
US-4331821-A ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed
EP-0009787-B1 PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION BAYER AG (DE) 1982-01-13 EP disclosed
US-4283565-A REACTING A BENZYL HALIDE WITH A FORMATE, CONTACTING WITH AN ALCOHOL TO TRANSESTERIFY DYNAMIT NOBEL AG (DE) 1981-08-11 US disclosed
JP-S5589237-A HIGHLY SELECTIVE PREPARATION OF ALPHA-CHLORINATED-PHENOXY- TOLUENE ASAHI KAGAKU KOGYO KK 1980-07-05 JP disclosed
EP-0009787-A2 Process for the monohalogenation of alkylbenzenes in alpha position BAYER AG (DE) 1980-04-16 EP disclosed
US-3939274-A Phenoxyphenylalkanoic acid ester insecticides CIBA-GEIGY CORPORATION (US) 1976-02-17 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 TSHR 1971/4885ADRA2A 2051/4885ADRA2B 1738/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 TSHR 1888/4885ADRA2A 2173/4885ADRA2B 1745/4885

“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.