SCHEMBL172302

SCHEMBL172302

CCCOc1cc(C)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
TDP1 Q9NUW8 2/20 0.53
CYP2C9 P11712 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TTR P02766 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C8 P10632 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA1A P35348 1/20 0.53
PPARG P37231 1/20 0.53
HTR2B P41595 1/20 0.53
PPARA Q07869 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
CISD1 Q9NZ45 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
POLB P06746 3/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49

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
SCHEMBL10241943 0.90 TSHR (0.64) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL5929495 0.89 TSHR (0.67) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL13475545 0.88 TSHR (0.62) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL5266458 0.87 TSHR (0.70) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL6738557 0.86 TSHR (0.60) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL13475550 0.86 TSHR (0.60) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL822786 0.86 TSHR (0.60) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL2712500 0.86 TSHR (0.60) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL4102060 0.86 TSHR (0.60) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL13475548 0.86 TSHR (0.60) TSHRTDP1CYP2C9SMN1; SMN2TTR

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
WO-2021032033-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-02-25 WO disclosed
CN-109071772-A Resin combination, prepreg, clad with metal foil plywood, resin sheet and printed circuit board 三菱瓦斯化学株式会社 2018-12-21 CN disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
EP-3173416-A1 BORONDIFLUORIDE COMPLEXES OF CURCUMINOID COMPOUNDS, METHOD OF PREPARATION AND USES THEREOF Université d'Aix Marseille (FR) 2017-05-31 EP disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
WO-2015025962-A1 AMIDINE COMPOUND OR SALT THEREOF 富山化学工業株式会社 (JP) 2015-02-26 WO disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
WO-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 WO disclosed
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-2123691-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-11-25 EP disclosed
WO-2007109120-A2 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2007-09-27 WO disclosed
EP-0342943-A1 Thermosetting resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-23 EP 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 (4 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-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, SCN2B, SCN1A TSHR 1237/4885TDP1 4602/4885CYP2C9 1173/4885
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC TSHR 3272/4885TDP1 1800/4885CYP2C9 2720/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 TSHR 1187/4885TDP1 4837/4885CYP2C9 3111/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TSHR 1187/4885TDP1 4837/4885CYP2C9 3111/4885

“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.