SCHEMBL105404

SCHEMBL105404

CC(=O)OCc1cc2c(cn1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 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
SCHEMBL5744126 0.82 CTNNB1 (0.42) CYP3A4RAB9ANPC1ALDH1A1NPSR1
SCHEMBL24400758 0.77 MRGPRX4 (0.38) CYP3A4CYP1A2
SCHEMBL844057 0.76 CYP3A4 (0.39) CYP3A4ALDH1A1
SCHEMBL3577706 0.74 PARP1 (0.45) MAPTALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL4428327 0.74 USP30 (0.40) CYP3A4MAPTALDH1A1HTTTP53
SCHEMBL2937583 0.74 EGFR (0.41) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL10052582 0.73 ATM (0.36) RAB9AMAPTPOLBALDH1A1KDM4E
SCHEMBL103867 0.73 NOTUM (0.44) RAB9ANPC1MAPTPOLBALDH1A1
SCHEMBL13034171 0.73 CYP3A4 (0.82) CYP3A4RAB9ANPC1ALDH1A1KDM4E
SCHEMBL2437485 0.73 CYP3A4 (0.43) CYP3A4RAB9ANPC1MAPTPOLB

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 CYP3A4 2104/4885RAB9A 4113/4885NPC1 163/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR CYP3A4 3444/4885RAB9A 4527/4885NPC1 151/4885

“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.