SCHEMBL6764247

SCHEMBL6764247

Cc1ccc(F)cc1OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KMT2A Q03164 1/20 0.37
NOTUM Q6P988 1/20 0.35
SLC6A4 P31645 3/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCL1 Q07820 1/20 0.33
ACHE P22303 2/20 0.32
SLC6A2 P23975 2/20 0.32
CYP2D6 P10635 1/20 0.32
SSTR4 P31391 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
MEP1B Q16820 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
AVPR2 P30518 1/20 0.31
OXTR P30559 1/20 0.31

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
SCHEMBL12886364 0.83 GPR3 (0.40) FFAR1FFAR4NOTUMSLC6A4HTR2A
SCHEMBL18734030 0.83 SLC6A4 (0.38) KMT2ANOTUMSLC6A4HTR2AKCNH2
SCHEMBL13008512 0.81 HSPB1 (0.42)
SCHEMBL6764191 0.81 CA3 (0.38) SLC6A4HTR2AKCNH2
SCHEMBL13475540 0.78 CYP2C9 (0.47) KMT2AACHEHTTSMN1; SMN2
SCHEMBL18356035 0.78 NFE2L2 (0.46) ACHEHTTSMN1; SMN2
SCHEMBL21974055 0.78 KCNH2 (0.30) KCNH2
SCHEMBL20045039 0.78 FFAR1 (0.38) FFAR1FFAR4KCNH2
SCHEMBL15341306 0.77 KIF11 (0.41) NOTUMSLC6A4SLC6A2
SCHEMBL26019653 0.76 DRD2 (0.41) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-04-21 US disclosed
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-02-15 US disclosed
US-11072595-B2 Benzothiophene-based selective estrogen receptor downregulator compounds The Board of Trustees of lhe University of Illinois (US) 2021-07-27 US disclosed
US-10981887-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2021-04-20 US disclosed
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-20200216406-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS G1 THERAPEUTICS, INC. (US) 2020-07-09 US disclosed
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-28 US disclosed
US-10633362-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2020-04-28 US disclosed
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-09 US disclosed
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS G1 THERAPEUTICS, INC. (US) 2019-04-25 US disclosed
US-10208011-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2019-02-19 US disclosed
US-20170166551-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-06-15 US disclosed
US-20170166551-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-06-15 US disclosed
US-8304536-B2 Phthalocyanine compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-06 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100228021-A1 PHTHALOCYANINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-09 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 (13 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B FFAR1 3331/4885FFAR4 4389/4885KMT2A 48/4885
US-10981887-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 FFAR1 403/4885FFAR4 390/4885KMT2A 777/4885
US-20170166551-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR COMPOUNDS ESR1, ESR2, GPER1 FFAR1 619/4885FFAR4 612/4885KMT2A 897/4885
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB FFAR1 4469/4885FFAR4 3809/4885KMT2A 4435/4885
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS CFB, TFPI, MAOB FFAR1 4469/4885FFAR4 3809/4885KMT2A 4435/4885
US-10208011-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 FFAR1 403/4885FFAR4 390/4885KMT2A 777/4885
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB FFAR1 4469/4885FFAR4 3809/4885KMT2A 4435/4885
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB FFAR1 4469/4885FFAR4 3809/4885KMT2A 4435/4885
US-20200216406-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 FFAR1 403/4885FFAR4 390/4885KMT2A 777/4885
US-11072595-B2 Benzothiophene-based selective estrogen receptor downregulator compounds ESR1, ESR2, GPER1 FFAR1 619/4885FFAR4 612/4885KMT2A 897/4885
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB FFAR1 4469/4885FFAR4 3809/4885KMT2A 4435/4885
US-10633362-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 FFAR1 403/4885FFAR4 390/4885KMT2A 777/4885
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 FFAR1 403/4885FFAR4 390/4885KMT2A 777/4885

“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.