SCHEMBL5723099

SCHEMBL5723099

COc1cccc2cc(-c3ccccc3C(C)C)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
PKM P14618 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.49
EIF4H Q15056 1/20 0.49
P2RY1 P47900 6/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
APOBEC3G Q9HC16 1/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
F2RL3 Q96RI0 1/20 0.46

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
SCHEMBL5723059 0.91 KMT2A (0.49) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL5723297 0.79 RAB9A (0.52) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL5722898 0.78 KMT2A (0.48) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL5722954 0.78 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL5723042 0.78 KMT2A (0.48) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL5722935 0.77 RAB9A (0.64) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL5723173 0.77 LMNA (0.60) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL25062632 0.77 CYP2A6 (0.57) ALDH1A1KMT2AKDM4EMEN1RAB9A
SCHEMBL5722994 0.74 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL25035234 0.74 NPC1 (0.50) ALDH1A1RAB9ANPC1P2RY1F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 ALDH1A1 323/4885KMT2A 4289/4885KDM4E 3975/4885

“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.