SCHEMBL2140716

SCHEMBL2140716

CC(CC1CCCC2CCCCC21)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SHBG P04278 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL2991735 0.83 CYP1A2 (0.34) CYP1A2CYP2D6IDO1TDO2
SCHEMBL2999995 0.81 CYP1A2 (0.37) CYP1A2CYP2D6IDO1TDO2
SCHEMBL10539850 0.80 CYP1A2 (0.41) CYP1A2CYP2D6IDO1TDO2
SCHEMBL3001779 0.79 SHBG (0.39) CYP1A2CYP2D6SHBGIDO1TDO2
SCHEMBL9808442 0.75 CA1 (0.47) SHBG
SCHEMBL13767360 0.73 SHBG (0.31) SHBG
SCHEMBL14443337 0.72 CYP1A2 (0.38) CYP1A2CYP2D6
SCHEMBL2994877 0.70 EPHX1 (0.34) SHBG
SCHEMBL24622520 0.69 SHBG (0.42) CYP1A2SHBG
SCHEMBL5479967 0.69 SHBG (0.42) CYP1A2SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62294628-A None JP disclosed
JP-62294628-A None JP disclosed
US-9255058-B2 Complex alcohol ester composition, method for production same, and use of same FUJIFILM CORPORATION (JP) 2016-02-09 US disclosed
US-9080127-B2 Composition, compound and film forming method FUJIFILM CORPORATION (JP) 2015-07-14 US disclosed
EP-2009304-B1 TORQUE LIMITER JTEKT CORP (JP) 2014-10-01 EP disclosed
EP-2003353-B1 TORQUE LIMITER JTEKT CORP (JP) 2014-06-04 EP disclosed
US-8524644-B2 Composition and method for forming coating film FUJIFILM CORPORATION (JP) 2013-09-03 US disclosed
US-20120201962-A1 COMPOSITION, COMPOUND AND FILM FORMING METHOD FUJIFILM CORPORATION (JP) 2012-08-09 US disclosed
US-8230986-B2 Torque limiter JTEKT CORPORATION (JP) 2012-07-31 US disclosed
US-20120184474-A1 COMPLEX ALCOHOL ESTER COMPOSITION, METHOD FOR PRODUCTION SAME, AND USE OF SAME FUJIFILM CORPORATION (JP) 2012-07-19 US disclosed
US-8220609-B2 Torque limiter JTEKT CORPORATION (JP) 2012-07-17 US disclosed
US-20110034357-A1 COMPOSITION AND METHOD FOR FORMING COATING FILM FUJIFILM CORPORATION (JP) 2011-02-10 US disclosed
EP-2267106-A1 COMPOSITION AND METHOD FOR FORMING COATING FILM FUJIFILM Corporation (JP) 2010-12-29 EP disclosed
US-20100184519-A1 TORQUE LIMITER JTEKT CORPORATION (JP) 2010-07-22 US disclosed
US-20090173591-A1 TORQUE LIMITER JTEKT CORPORATION (JP) 2009-07-09 US disclosed
EP-2009304-A1 TORQUE LIMITER JTEKT Corporation (JP) 2008-12-31 EP disclosed
EP-2003353-A1 TORQUE LIMITER JTEKT Corporation (JP) 2008-12-17 EP disclosed
US-20080194441-A1 GREASE COMPOSITION, VISCOUS AGENT, AND MECHANICAL ELEMENT FUJIFILM CORPORATION (JP) 2008-08-14 US disclosed
JP-S62294628-A 1-(1-DECALYL)-2-CYCLOHEXYLPROPANE AND PRODUCTION THEREOF IDEMITSU KOSAN CO LTD 1987-12-22 JP disclosed
JP-S62294628-A 1-(1-DECALYL)-2-CYCLOHEXYLPROPANE AND PRODUCTION THEREOF IDEMITSU KOSAN CO LTD 1987-12-22 JP 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-20120201962-A1 COMPOSITION, COMPOUND AND FILM FORMING METHOD PYM1, DEGS1, ALK CYP1A2 2408/4885CYP2D6 2429/4885SHBG 1008/4885
US-20120184474-A1 COMPLEX ALCOHOL ESTER COMPOSITION, METHOD FOR PRODUCTION SAME, AND USE OF SAME ADH1C, ADH1A, ASH2L CYP1A2 407/4885CYP2D6 3502/4885SHBG 2885/4885

“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.