SCHEMBL6607683

SCHEMBL6607683

COc1ccc(C=O)c2c1OC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ERN1 O75460 2/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
PRKDC P78527 1/20 0.37
HPGD P15428 3/20 0.37
SIRT1 Q96EB6 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5723094 0.84 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL18089685 0.83 KMT2A (0.47) ALDH1A1KMT2ATSHRKDM4ETDP1
SCHEMBL6837835 0.80 SIRT1 (0.41) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL3598687 0.78 FFAR4 (0.40) ALDH1A1KMT2ATSHRKDM4ETDP1
SCHEMBL5722906 0.74 FFAR4 (0.42) ALDH1A1KMT2ATSHRKDM4ETDP1
SCHEMBL6837806 0.74 KMT2A (0.39) ALDH1A1KMT2AKDM4EERN1CASP1
SCHEMBL6837823 0.74 LMNA (0.53) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL6607327 0.74 ALDH1A1 (0.54) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL7299406 0.73 PDE4D (0.49) ALDH1A1KMT2ATSHRKDM4ECASP1
SCHEMBL5798969 0.72 ALDH1A1 (0.43) ALDH1A1KMT2ATSHRKDM4ETDP1

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-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

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 323/4885KMT2A 4289/4885TSHR 3078/4885
US-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 ALDH1A1 232/4885KMT2A 1673/4885TSHR 3431/4885

“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.