SCHEMBL2704646

SCHEMBL2704646

CCC(Cc1ccc(N2CCNCC2)cc1)(C(=O)c1ccc(N2CCNCC2)cc1)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPKAPK2 P49137 8/20 0.44
ADRB1 P08588 3/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAOB P27338 2/20 0.39
ACVR1 Q04771 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 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
SCHEMBL18910226 0.96 ADRB1 (0.48) ALDH1A1USP2TSHRHSD17B10MAPKAPK2
SCHEMBL23152941 0.96 MAPKAPK2 (0.50) ALDH1A1USP2TSHRHSD17B10MAPKAPK2
SCHEMBL17269404 0.94 HPGD (0.44) ALDH1A1USP2TSHRHSD17B10MAPKAPK2
SCHEMBL19601159 0.94 LMNA (0.43) ALDH1A1USP2TSHRHSD17B10MAPKAPK2
SCHEMBL4473427 0.94 ALDH1A1 (0.51) ALDH1A1USP2TSHRHSD17B10MAPKAPK2
SCHEMBL21477316 0.93 MAPKAPK2 (0.41) ALDH1A1USP2TSHRHSD17B10MAPKAPK2
SCHEMBL17269410 0.93 POLB (0.43) ALDH1A1USP2TSHRHSD17B10MAPKAPK2
SCHEMBL17269417 0.92 CHRNA10 (0.46) ALDH1A1USP2TSHRHSD17B10MAPKAPK2
SCHEMBL20988009 0.92 CHRNA10 (0.42) ALDH1A1USP2TSHRHSD17B10MAPKAPK2
SCHEMBL18910121 0.91 ALDH1A1 (0.50) ALDH1A1USP2TSHRHSD17B10MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674089-B2 Michael addition reaction product and active energy ray-curable composition DIC CORPORATION (JP) 2014-03-18 US disclosed
US-8674089-B2 Michael addition reaction product and active energy ray-curable composition DIC CORPORATION (JP) 2014-03-18 US disclosed
US-8674089-B2 Michael addition reaction product and active energy ray-curable composition DIC CORPORATION (JP) 2014-03-18 US disclosed
EP-2450344-B1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2013-12-11 EP disclosed
US-20120190846-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION DIC CORPORATION. (JP) 2012-07-26 US disclosed
US-20120190846-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION DIC CORPORATION. (JP) 2012-07-26 US disclosed
US-20120190846-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION DIC CORPORATION. (JP) 2012-07-26 US disclosed
EP-2450344-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION DIC Corporation (JP) 2012-05-09 EP 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-20120190846-A1 MICHAEL ADDITION REACTION PRODUCT AND ACTIVE ENERGY RAY-CURABLE COMPOSITION PARP14, TIPARP, PARP16 ALDH1A1 590/4885USP2 3914/4885TSHR 4224/4885

“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.