SCHEMBL6607327

SCHEMBL6607327

COc1ccc(C=O)c2c1OCCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGD P15428 1/20 0.45
ERN1 O75460 5/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
PRKDC P78527 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6837992 0.93 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6837823 0.89 LMNA (0.53) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6851157 0.82 TDP1 (0.46) ALDH1A1LMNAKDM4EHPGDERN1
SCHEMBL15988845 0.82 KDM4E (0.66) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL22297245 0.79 LMNA (0.41) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL28632221 0.76 LMNA (0.36) ALDH1A1LMNAKDM4EHPGDERN1
SCHEMBL1620934 0.75 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL5798969 0.74 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EHPGDERN1
SCHEMBL746852 0.74 LMNA (0.45) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6607683 0.74 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 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
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US disclosed
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 EP disclosed
EP-0943613-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1999-09-22 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 (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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 ALDH1A1 323/4885LMNA 1848/4885KDM4E 3975/4885
US-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 ALDH1A1 232/4885LMNA 4242/4885KDM4E 444/4885

“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.