SCHEMBL995067

SCHEMBL995067

CCC(CC)(O[PH](=O)O)c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
CYP2A6 P11509 2/20 0.40
CYP19A1 P11511 1/20 0.39
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PTPN5 P54829 1/20 0.37
MAPT P10636 1/20 0.37
MLYCD O95822 1/20 0.36
MGLL Q99685 2/20 0.36
RAB9A P51151 1/20 0.36
PGR P06401 2/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GSK3B P49841 1/20 0.35
HTT P42858 1/20 0.35
ABCC9 O60706 1/20 0.35

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
SCHEMBL995493 0.79 NPC1 (0.37) KIF11CYP19A1ALDH1A1MAPTRAB9A
SCHEMBL28143880 0.78 PTPN5 (0.45) KIF11CYP2A6CYP19A1EPHX2ALDH1A1
SCHEMBL28391871 0.77 KCNN4 (0.37) ALDH1A1MAPTRAB9AHTT
SCHEMBL1123408 0.77 NPC1 (0.43) CYP19A1EPHX2ALDH1A1MAPTRAB9A
SCHEMBL995627 0.77 CES2 (0.39) KIF11EPHX2ALDH1A1MAPTGSK3B
SCHEMBL995341 0.77 PLK1 (0.39) KIF11ALDH1A1RAB9ACA2
SCHEMBL996408 0.77 MAPK1 (0.40) KIF11ALDH1A1MAPTHTT
SCHEMBL2948040 0.76 ALDH1A1 (0.42) EPHX2ALDH1A1MAPTRAB9ACA12
SCHEMBL996208 0.75 CYP2C9 (0.42) KIF11ALDH1A1PTPN5MAPTRAB9A
SCHEMBL725457 0.72 ALDH1A1 (0.54) ALDH1A1MAPTCA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4368343-A None JP disclosed
EP-2437792-B1 IMAGING OF MYELIN BASIC PROTEIN GEN ELECTRIC (US) 2015-10-21 EP disclosed
US-9133211-B2 Dithienobenzodithiophene semiconductive material and electronic device using the same RICOH COMPANY, LTD. (JP) 2015-09-15 US disclosed
US-8617515-B2 Imaging of myelin basic protein GENERAL ELECTRIC COMPANY (US) 2013-12-31 US disclosed
EP-2457272-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME Ricoh Company, Ltd. (JP) 2012-05-30 EP disclosed
US-20120119195-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2012-05-17 US disclosed
EP-2437792-A2 IMAGING OF MYELIN BASIC PROTEIN General Electric Company (US) 2012-04-11 EP disclosed
WO-2011010710-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2011-01-27 WO disclosed
US-20100310457-A1 IMAGING OF MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2010-12-09 US disclosed
WO-2010141704-A2 IMAGING OF MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2010-12-09 WO disclosed
US-7371887-B2 Oligo(p-phenylene vinylene) amphiphiles and methods for self-assembly NORTHWESTERN UNIVERSITY (US) 2008-05-13 US disclosed
US-20050214952-A1 Oligo(p-phenylene vinylene) amphiphiles and methods for self-assembly ENGERY, UNITED STATES DEPARTMENT OF 2005-09-29 US disclosed
WO-2005056499-A2 OLIGO(P-PHENYLENE VINYLENE) AMPHIPHILES AND METHODS FOR SELF-ASSEMBLY NORTHWESTERN UNIVERSITY (US) 2005-06-23 WO disclosed
JP-H04368343-A LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE COMPOSITION HITACHI LTD 1992-12-21 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 (3 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-20100310457-A1 IMAGING OF MYELIN BASIC PROTEIN MAG, PMP22, MYT1 KIF11 881/4885CYP2A6 4848/4885CYP19A1 4885/4885
US-20050214952-A1 Oligo(p-phenylene vinylene) amphiphiles and methods for self-assembly PHOSPHO1, VCL, PCBP1 KIF11 2143/4885CYP2A6 4459/4885CYP19A1 3639/4885
US-20120119195-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RPS10, OR10J3, RPS20 KIF11 1359/4885CYP2A6 2392/4885CYP19A1 771/4885

“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.