SCHEMBL1022237

SCHEMBL1022237

CCCCCC(C)C(C)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
OPRM1 P35372 1/20 0.46
CYP2D6 P10635 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
TP53 P04637 2/20 0.45
GMNN O75496 1/20 0.45
POLB P06746 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CETP P11597 1/20 0.45
HTT P42858 1/20 0.45
UBE2N P61088 1/20 0.45
CA1 P00915 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 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
SCHEMBL30729227 0.97 LMNA (0.52) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL28816539 0.97 LMNA (0.52) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL3364419 0.97 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL6159762 0.97 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL6157389 0.97 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL1019405 0.97 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL3370075 0.97 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL19154283 0.97 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL1660059 0.97 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53
SCHEMBL14878243 0.97 LMNA (0.58) LMNAOPRM1CYP2D6SPHK1TP53

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
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
US-20160201093-A1 Process for the Bioconversion of C3-C13 Alkanes to C3-C13 Primary Alcohols BASF SE (DE) 2016-07-14 US disclosed
EP-3027760-A1 PROCESS FOR THE BIOCONVERSION OF C3-C13 ALKANES TO C3-C 13 PRIMARY ALCOHOLS BASF SE (DE) 2016-06-08 EP disclosed
WO-2015014644-A1 PROCESS FOR THE BIOCONVERSION OF C3-C13 ALKANES TO C3-C 13 PRIMARY ALCOHOLS BASF SE (DE) 2015-02-05 WO disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-23 US disclosed
US-8377458-B2 Cooling sensation agent composition, sensory stimulation agent composition and use of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-19 US disclosed
US-8263972-B2 Organic electroluminescent device and display medium FUJI XEROX CO. LTD. (JP) 2012-09-11 US disclosed
US-8217391-B2 Organic semiconductor transistor, method of producing the same, and electronic device FUJI XEROX CO., LTD. (JP) 2012-07-10 US disclosed
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION 2011-04-07 US disclosed
EP-2233488-B1 THIAZOLOTHIAZOLE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME FUJI XEROX CO LTD (JP) 2011-01-12 EP disclosed
US-20100276672-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY MEDIUM FUJI XEROX CO., LTD. (JP) 2010-11-04 US disclosed
US-7812172-B2 Charge transport materials; for organic electronic devices such as organic photoreceptors, organic electroluminescence devices, organic transistors, and organic optical memories FUJI XEROX CO., LTD. (JP) 2010-10-12 US disclosed
US-20100243995-A1 ORGANIC SEMICONDUCTOR TRANSISTOR, METHOD OF PRODUCING THE SAME, AND ELECTRONIC DEVICE FUJI XEROX CO., LTD. (JP) 2010-09-30 US disclosed
EP-2233488-A1 THIAZOLOTHIAZOLE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME Fuji Xerox Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE FUJI XEROX CO., LTD. (JP) 2010-06-03 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-6696395-B1 CLEANING COMPOUNDS COMPRISING ODORS, WATER AND SURFACTANTS IN HIGH DENSITY POLYOLEFIN CONTAINERS HAVING INTERIOR LININGS SELECTED FROM NYLON, POLYETHYLENE TEREPHTHALATE OR FLUORINATED POLYETHYLENE FOR STORAGE STABILITY; NONDIFFUSING BARRIERS THE PROCTER & GAMBLE COMPANY 2004-02-24 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 (5 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-20100276672-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY MEDIUM L1CAM, OR10J3, ALK LMNA 2011/4885OPRM1 129/4885CYP2D6 827/4885
US-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE BCAT1, ABAT, BCAT2 LMNA 3875/4885OPRM1 2423/4885CYP2D6 561/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 LMNA 1708/4885OPRM1 69/4885CYP2D6 2862/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 LMNA 1727/4885OPRM1 493/4885CYP2D6 2821/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 LMNA 1727/4885OPRM1 493/4885CYP2D6 2821/4885

“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.