SCHEMBL5722696

SCHEMBL5722696

CCC1(CC)Cc2c(C=O)ccc(OC)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ERN1 O75460 5/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
FDPS P14324 1/20 0.31
PRKDC P78527 1/20 0.31
PTPRF P10586 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5722906 0.81 FFAR4 (0.42) ALDH1A1L3MBTL1LMNAHPGDTSHR
SCHEMBL5722937 0.80 KDM4E (0.40) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL5723019 0.79 MAPT (0.47) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL5723008 0.79 MAPT (0.47) ALDH1A1LMNAHPGDKDM4ENPC1
Hydrochloric Acid SCHEMBL5722980 0.78 MAPT (0.46) ALDH1A1LMNAHPGDKDM4ENPC1
Hydrochloric Acid SCHEMBL5722987 0.78 MAPT (0.46) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL5722874 0.78 PDE4D (0.48) ALDH1A1L3MBTL1LMNAHPGDTSHR
SCHEMBL5723323 0.77 PDE4D (0.47) ALDH1A1L3MBTL1LMNAHPGDTSHR
SCHEMBL7353933 0.77 FFAR4 (0.35) ALDH1A1LMNATSHRKDM4EFFAR4
SCHEMBL7356280 0.77 KDM4E (0.40) ALDH1A1LMNAHPGDTSHRKDM4E

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 323/4885L3MBTL1 1489/4885LMNA 1848/4885

“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.