SCHEMBL865078

SCHEMBL865078

Cc1cccc(C)c1COCc1c(C)cccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
TSHR P16473 3/20 0.40
ACHE P22303 1/20 0.40
SLC22A12 Q96S37 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
SCN4A P35499 3/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
KCNK3 O14649 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
SCHEMBL17055828 0.87 SLC22A12 (0.37) CYP1A2CYP2A6TSHRACHESLC22A12
SCHEMBL2091194 0.85 SLC22A12 (0.36) CYP1A2CYP2A6TSHRACHESLC22A12
SCHEMBL21518167 0.82 TAAR1 (0.38) CYP1A2CYP2A6TSHRSLC22A12CYP3A4
SCHEMBL3147889 0.82 SLC22A12 (0.34) CYP1A2CYP2A6TSHRACHESLC22A12
SCHEMBL8750400 0.81 CYP1A2 (0.39) CYP1A2CYP2A6TSHRACHESLC22A12
SCHEMBL9695270 0.80 GABRA1 (0.48) CYP1A2CYP2A6TSHRSLC22A12ALDH1A1
SCHEMBL6580294 0.80 ALDH1A1 (0.36) CYP1A2CYP2A6SLC22A12ALDH1A1CYP3A4
SCHEMBL16241899 0.79 SLC22A12 (0.38) CYP1A2CYP2A6TSHRACHESLC22A12
SCHEMBL22897522 0.79 TACR1 (0.34) CYP1A2CYP2A6SLC22A12CYP3A4CYP2D6
SCHEMBL6579679 0.77 ALDH1A1 (0.51) CYP1A2TSHRALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624161-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2017-04-18 US disclosed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-9427418-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-30 US disclosed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-9078888-B2 Nuclear receptor binding agents GTX, INC. (US) 2015-07-14 US disclosed
US-9051267-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2015-06-09 US disclosed
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2015-03-26 US disclosed
US-20050227034-A1 PROTECTED ACTIVATORS FOR USE IN LEUCO DYE COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-10-13 US disclosed
WO-2005025885-A1 PROTECTED ACTIVATORS FOR USE IN LEUCO DYE COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2005-03-24 WO disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed
EP-0210564-A2 Process for producing bis-hydroxyphenyl-n-alkanes BAYER AG (DE) 1987-02-04 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 (3 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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 CYP1A2 732/4885CYP2A6 393/4885TSHR 525/4885
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA CYP1A2 3001/4885CYP2A6 2106/4885TSHR 258/4885
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, NR5A1 CYP1A2 1238/4885CYP2A6 393/4885TSHR 543/4885

“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.