SCHEMBL2115865

SCHEMBL2115865

CCOC(=O)C(C#N)=C(C#N)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
TSHR P16473 1/20 0.61
CYP2C9 P11712 1/20 0.52
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GLO1 Q04760 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTP4A1 Q93096 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40

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
SCHEMBL1754710 1.00 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL1261327 0.89 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL3021948 0.89 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL238242 0.87 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL3021950 0.87 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL1118954 0.87 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL238243 0.87 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL13237294 0.87 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL238244 0.87 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL12722298 0.87 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9466827-B2 Secondary battery NEC CORPORATION (JP) 2016-10-11 US claimed
US-9466827-B2 Secondary battery NEC CORPORATION (JP) 2016-10-11 US disclosed
US-8536205-B2 Photochromic and electrochromic compounds and synthesis and use thereof SWITCH MATERIALS INC. (CA) 2013-09-17 US disclosed
US-20130164605-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2013-06-27 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20100190868-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF SWITCH MATERIALS INC. (CA) 2010-07-29 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090088448-A1 Rapamycin Derivatives and the Uses Thereof in the Treatment of Neurological Disorders WYETH (US) 2009-04-02 US disclosed
US-7476678-B2 Rapamycin derivatives and the uses thereof in the treatment of neurological disorders WYETH (US) 2009-01-13 US disclosed
EP-1888553-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF Switch Materials Inc. (CA) 2008-02-20 EP disclosed
US-20080027089-A1 Rapamycin derivatives and the uses thereof in the treatment of neurological disorders WYETH (US) 2008-01-31 US disclosed
US-7273874-B2 Rapamycin derivatives and the uses thereof in the treatment of neurological disorders WYETH (US) 2007-09-25 US disclosed
EP-1828203-A2 RAPAMYCIN DERIVATIVES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGICAL DISORDERS Wyeth (US) 2007-09-05 EP disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006125317-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF SWITCH MATERIALS INC. (CA) 2006-11-30 WO disclosed
WO-2006068905-A2 RAPAMYCIN DERIVATIVES AND THE USES THEREOF IN THE TREATMENT OF NEUROLOGICAL DISORDERS WYETH (US) 2006-06-29 WO disclosed
US-20060135550-A1 Rapamycin derivatives and the uses thereof in the treatment of neurological disorders WYETH (US) 2006-06-22 US disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO 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 (6 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-20060135550-A1 Rapamycin derivatives and the uses thereof in the treatment of neurological disorders MTOR, RPTOR, RICTOR ALDH1A1 3254/4885TSHR 1065/4885CYP2C9 2858/4885
US-20100190868-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF HCN2, HCN1, SCO2 ALDH1A1 488/4885TSHR 4023/4885CYP2C9 515/4885
US-20090088448-A1 Rapamycin Derivatives and the Uses Thereof in the Treatment of Neurological Disorders RICTOR, BDNF, NLN ALDH1A1 2988/4885TSHR 4225/4885CYP2C9 3675/4885
US-20080027089-A1 Rapamycin derivatives and the uses thereof in the treatment of neurological disorders RPTOR, MTOR, RICTOR ALDH1A1 3946/4885TSHR 1903/4885CYP2C9 2874/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885TSHR 2250/4885CYP2C9 1295/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885TSHR 2250/4885CYP2C9 1295/4885

“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.