SCHEMBL892810

SCHEMBL892810

CC(C)C(OC(c1ccccc1)C(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
AOC3 Q16853 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL13641888 0.90 THRB (0.41) THRBTAAR1AOC3ADRA2AADRA2C
SCHEMBL13403919 0.90 THRB (0.41) THRBTAAR1AOC3ADRA2AADRA2C
Ether SCHEMBL8937056 0.89 TAAR1 (0.41) THRBTAAR1AOC3LMNAALDH1A1
SCHEMBL9619659 0.86 LMNA (0.43) THRBTAAR1AOC3ADRA2AADRA2C
SCHEMBL7929659 0.85 THRB (0.41) THRBTAAR1AOC3ADRA2AADRA2C
SCHEMBL1157986 0.84 THRB (0.44) THRBTAAR1AOC3ADRA2AADRA2C
SCHEMBL12884228 0.82 THRB (0.57) THRBTAAR1AOC3ADRA2AADRA2C
SCHEMBL15113559 0.82 THRB (0.57) THRBTAAR1AOC3ADRA2AADRA2C
SCHEMBL9911361 0.82 THRB (0.57) THRBTAAR1AOC3ADRA2AADRA2C
SCHEMBL7553120 0.80 THRB (0.41) THRBTAAR1ADRA2AADRA2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514624-A N-monofluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2023-08-01 CN claimed
US-20040059165-A1 Synthesis of aliphatic 1,3-diols utilizing reduced ligand concentration and water extraction POWELL JOSEPH BROUN (US) 2004-03-25 US claimed
US-6660892-B2 Catalytic hydroformylation, hydrogenation of oxirane SHELL OIL COMPANY 2003-12-09 US claimed
US-20030166977-A1 Synthesis of aliphatic 1, 3-diols utilizing reduced ligand concentration and water extraction SHELL OIL COMPANY 2003-09-04 US claimed
CN-116514624-B N-monofluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2024-07-23 CN disclosed
CN-116514624-A N-monofluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2023-08-01 CN disclosed
CN-111051470-B Process for preparing liquid composition 住友化学株式会社 2020-11-10 CN disclosed
CN-107532017-B Stripping solvent composition, stripping method and cleaning solvent composition 日本瑞翁株式会社 2020-11-06 CN disclosed
CN-111051470-A Process for preparing liquid composition 住友化学株式会社 2020-04-21 CN disclosed
EP-3296366-B1 RELEASE SOLVENT COMPOSITION, RELEASE METHOD, AND CLEANING SOLVENT COMPOSITION ZEON CORP (JP) 2019-07-10 EP disclosed
US-20180141090-A1 RELEASE SOLVENT COMPOSITION, RELEASE METHOD, AND CLEANING SOLVENT COMPOSITION ZEON CORPORATION (JP) 2018-05-24 US disclosed
EP-3296366-A1 RELEASE SOLVENT COMPOSITION, RELEASE METHOD, AND CLEANING SOLVENT COMPOSITION Zeon Corporation (JP) 2018-03-21 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
CN-1016432-B Salicylic acid copolymer and method for preparing metal salt thereof MITSUI TOATSU CHEMICAIS INC (JP) 1992-04-29 CN 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
CN-1051368-A Salicylic acid copolymers and its metal-salt and preparation method thereof contain the developer of this metal salts of copolymers and the colour developing paper of this developer of employing MITSUI TOATSU CHEMICALS (JP) 1991-05-15 CN disclosed
CN-87107802-A Salicylic acid copolymer and metal salt thereof, process for producing the same, color-developing agent containing the copolymer metal salt, and color-developing paper using the color-developing agent 1988-08-10 CN 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

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-20030166977-A1 Synthesis of aliphatic 1, 3-diols utilizing reduced ligand concentration and water extraction OXGR1, OXER1, ADH1A THRB 3057/4885TAAR1 545/4885AOC3 22/4885
US-20040059165-A1 Synthesis of aliphatic 1,3-diols utilizing reduced ligand concentration and water extraction OXGR1, OXER1, ADH1A THRB 3057/4885TAAR1 545/4885AOC3 22/4885

“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.