SCHEMBL103632

SCHEMBL103632

CC(=O)c1cc2c(cn1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.47
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NTRK1 P04629 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
PAX8 Q06710 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
SCHEMBL1712176 0.83 CHRNA7 (0.45) CHRNA7KDM4EALDH1A1NPC1RAB9A
SCHEMBL5299145 0.81 TSHR (0.49) CHRNA7KDM4EALDH1A1NPC1RAB9A
SCHEMBL31003211 0.81 PLA2G10 (0.38) CHRNA7KDM4EHSD17B10ALDH1A1ALOX15
SCHEMBL5917985 0.81 KDM4E (0.51) CHRNA7KDM4EHSD17B10ALDH1A1ALOX15
SCHEMBL31587136 0.77 CHRNA7 (0.41) CHRNA7KDM4EALDH1A1NPC1RAB9A
SCHEMBL5265516 0.77 GABRA1 (0.48) KDM4EHSD17B10ALDH1A1ALOX15NPSR1
SCHEMBL30937685 0.76 MEN1 (0.43) CHRNA7KMT2A
SCHEMBL2507415 0.76 CHRNA7 (0.41) CHRNA7KDM4EALDH1A1NPC1RAB9A
SCHEMBL20270971 0.74 BACE1 (0.39) CHRNA7KDM4EALDH1A1NPC1RAB9A
SCHEMBL18443469 0.74 BACE1 (0.39) CHRNA7KDM4EALDH1A1NPC1RAB9A

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 7 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
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 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 (2 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 CHRNA7 732/4885KDM4E 3663/4885HSD17B10 281/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR CHRNA7 927/4885KDM4E 4240/4885HSD17B10 190/4885

“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.