SCHEMBL102676

SCHEMBL102676

COC(=O)Cc1cc2ccoc2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
CHRNA7 P36544 6/20 0.38
HTR3A P46098 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
CYP1A2 P05177 1/20 0.38
BLM P54132 1/20 0.38
DYRK1A Q13627 1/20 0.38
ESR1 P03372 1/20 0.37
THRA P10827 1/20 0.37
VDR P11473 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
SCHEMBL3557368 0.85 KDM4E (0.35) KDM4ECHRNA7HTR3ATAS1R3TAS1R1
SCHEMBL7504438 0.79 CHRNA7 (0.45) CHRNA7HTR3ATAS1R3TAS1R1HTR3E
SCHEMBL843011 0.77 ALDH1A1 (0.42) CHRNA7HTR3ATAS1R3TAS1R1ALDH1A1
SCHEMBL104140 0.75 DYRK1A (0.37) KDM4ECHRNA7HTR3AALDH1A1HTR3E
SCHEMBL7442715 0.75 HTR1B (0.50) KDM4ETAS1R3TAS1R1ALDH1A1MAPK1
SCHEMBL29875194 0.75 HTR1B (0.50) KDM4ETAS1R3TAS1R1ALDH1A1MAPK1
SCHEMBL55605 0.72 CHRNA7 (0.48) CHRNA7HTR3AALDH1A1HTR3EHTR3B
SCHEMBL6930395 0.71 CA2 (0.42) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL31263665 0.71 ALDH1A1 (0.46) KDM4EALDH1A1NPC1CYP1A2CYP11B1
SCHEMBL102677 0.71 CHRNA7 (0.36) KDM4ECHRNA7HTR3AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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 (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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 KDM4E 3663/4885CHRNA7 732/4885HTR3A 3100/4885

“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.