SCHEMBL14480554

SCHEMBL14480554

CCOC(=O)CCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TSHR P16473 2/20 0.47
CYP2C19 P33261 1/20 0.47
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 1/20 0.44
PTPN1 P18031 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL27821199 0.84 POLB (0.59) CYP1A2TSHRCYP4F2CYP4A11POLB
SCHEMBL28859675 0.83 CYP1A2 (0.64) CYP1A2TSHRCYP2C19CYP4F2CYP4A11
SCHEMBL29099300 0.83 CYP2D6 (0.43) TSHRPOLBALDH1A1GAA
SCHEMBL28929385 0.82 MEN1 (0.52) CYP1A2TSHRCYP2C19CYP4F2CYP4A11
SCHEMBL28243477 0.81 HTR2A (0.44) CYP1A2CYP2C19SMN1; SMN2ALDH1A1GAA
SCHEMBL29099218 0.79 POLB (0.40) CYP1A2TSHRCYP2C19POLBPPARG
SCHEMBL28988456 0.79 TSHR (0.46) TSHRPPARGPPARAALDH1A1GAA
SCHEMBL11104931 0.79 ALDH1A1 (0.48) CYP1A2TSHRCYP2C19CYP4F2CYP4A11
SCHEMBL17089903 0.78 KMT2A (0.62) CYP1A2POLB
SCHEMBL24628375 0.78 POLB (0.47) CYP1A2TSHRPOLBPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110343042-B Synthesis method of 2- ((9-hydrofluoren-9-yl) methyl) malonate 温州大学 2021-10-08 CN disclosed
CN-110256247-B Synthesis method of 2- ((9-hydrofluoren-9-yl) methyl) malonate 温州大学 2021-09-21 CN disclosed
EP-2562156-B1 COLCHICINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAID DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAID DERIVATIVES ASAN FOUND (KR) 2018-11-07 EP disclosed
CN-106062035-B Polycondensation resin and optical film formed therefrom 三菱化学株式会社 2018-05-29 CN disclosed
US-8927760-B2 Colchicine derivatives or pharmaceutically acceptable salts thereof, method for preparing said derivatives, and pharmaceutical composition comprising said derivatives THE ASAN FOUNDATION (KR) 2015-01-06 US disclosed
US-8927760-B2 Colchicine derivatives or pharmaceutically acceptable salts thereof, method for preparing said derivatives, and pharmaceutical composition comprising said derivatives THE ASAN FOUNDATION (KR) 2015-01-06 US disclosed
US-8927760-B2 Colchicine derivatives or pharmaceutically acceptable salts thereof, method for preparing said derivatives, and pharmaceutical composition comprising said derivatives THE ASAN FOUNDATION (KR) 2015-01-06 US disclosed
EP-2562156-A2 COLCHICINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAID DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAID DERIVATIVES The Asan Foundation (KR) 2013-02-27 EP disclosed
EP-2562156-A2 COLCHICINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAID DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAID DERIVATIVES The Asan Foundation (KR) 2013-02-27 EP disclosed
US-20130011417-A1 COLCHICINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAID DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAID DERIVATIVES THE ASAN FOUNDATION (KR) 2013-01-10 US disclosed
US-20130011417-A1 COLCHICINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAID DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAID DERIVATIVES THE ASAN FOUNDATION (KR) 2013-01-10 US disclosed
US-20130011417-A1 COLCHICINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAID DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAID DERIVATIVES THE ASAN FOUNDATION (KR) 2013-01-10 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 (1 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-20130011417-A1 COLCHICINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAID DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAID DERIVATIVES MYD88, IL5, NOD1 CYP1A2 142/4885TSHR 4642/4885CYP2C19 372/4885

“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.