SCHEMBL6606519

SCHEMBL6606519

COc1ccc(-c2ccc3c(c2)CCCC3=O)c2c1OCCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.60
MAOA P21397 7/20 0.41
MAOB P27338 7/20 0.41
PRKCI P41743 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
PGR P06401 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL6605919 0.97 HSD17B1 (0.57) HSD17B1MAOAMAOBPRKCIPDE4D
SCHEMBL6604245 0.92 HSD17B1 (0.50) HSD17B1PDE4DLMNAMAPTPGR
SCHEMBL4085867 0.75 HSD17B1 (1.00) HSD17B1MAOAMAOBPRKCIPDE4D
SCHEMBL6603885 0.75 STK10 (0.45) MAOAMAOBLMNAMAPTKDM4E
SCHEMBL3010868 0.73 HSD17B1 (0.65) HSD17B1MAOAMAOBPRKCILMNA
SCHEMBL6602481 0.72 KDM4E (0.56) LMNAMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7444250 0.72 HSD17B1 (0.62) HSD17B1PDE4D
SCHEMBL3989223 0.71 HSD17B1 (0.62) HSD17B1PDE4DMAPTPGRKDM4E
SCHEMBL3989070 0.70 KDM4E (0.56) HSD17B1PDE4DKDM4EALDH1A1TUBB4A
SCHEMBL6604621 0.70 LMNA (0.50) LMNAMAPTKDM4EALDH1A1HSD17B10

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 4 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-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 (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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 HSD17B1 651/4885MAOA 642/4885MAOB 572/4885

“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.