SCHEMBL9750485

SCHEMBL9750485

CCOC(c1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
AOC3 Q16853 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 2/20 0.38
CASR P41180 1/20 0.37
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37
ADRA2B P18089 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
SCHEMBL6558951 0.83 LMNA (0.47) L3MBTL1LMNAAOC3POLBCHRM2
Hydrochloric Acid SCHEMBL22775398 0.82 ALDH1A1 (0.47) TAAR1L3MBTL1LMNAHTTADRA2A
Hydrochloric Acid SCHEMBL22774123 0.82 ALDH1A1 (0.47) TAAR1L3MBTL1LMNAHTTADRA2A
SCHEMBL19312229 0.81 LMNA (0.48) L3MBTL1LMNAAOC3POLBADRA2A
Ether SCHEMBL8937056 0.81 TAAR1 (0.41) TAAR1LMNAAOC3POLBTHRB
SCHEMBL23804980 0.80 L3MBTL1 (0.41) TAAR1L3MBTL1LMNAPOLBTHRB
SCHEMBL5867158 0.80 HTR2A (0.48) TAAR1L3MBTL1LMNAAOC3POLB
SCHEMBL6721382 0.80 KDM4E (0.48) L3MBTL1LMNAAOC3HTTSCN1A
SCHEMBL9233735 0.79 L3MBTL1 (0.39) TAAR1L3MBTL1LMNAPOLBTHRB
SCHEMBL14578026 0.79 LMNA (0.47) LMNAAOC3POLBCHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108923066-A A kind of lithium ion battery flame-retardant electrolyte 南通新宙邦电子材料有限公司 2018-11-30 CN claimed
US-10457621-B2 Process for preparing aryl ketone ETERNAL MATERIALS CO., LTD. (TW) 2019-10-29 US disclosed
US-10457621-B2 Process for preparing aryl ketone ETERNAL MATERIALS CO., LTD. (TW) 2019-10-29 US disclosed
CN-107835806-A The catalytic hydrogenation of substituted cyanopyridine and the method for preparing the pyridylmethyl benzamide substituted 拜耳作物科学股份公司 2018-03-23 CN disclosed
US-20170036981-A1 PROCESS FOR PREPARING ARYL KETONE ETERNAL MATERIALS CO., LTD. (TW) 2017-02-09 US disclosed
US-20170036981-A1 PROCESS FOR PREPARING ARYL KETONE ETERNAL MATERIALS CO., LTD. (TW) 2017-02-09 US disclosed
US-20170036981-A1 PROCESS FOR PREPARING ARYL KETONE ETERNAL MATERIALS CO., LTD. (TW) 2017-02-09 US 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

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-10457621-B2 Process for preparing aryl ketone CYP1B1, CYP4X1, PKM TAAR1 1455/4885L3MBTL1 743/4885LMNA 409/4885
US-20170036981-A1 PROCESS FOR PREPARING ARYL KETONE CYP1B1, CYP4X1, PKM TAAR1 1455/4885L3MBTL1 743/4885LMNA 409/4885

“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.