SCHEMBL6604245

SCHEMBL6604245

COc1ccc(-c2ccc3c(c2)CCC3=O)c2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.50
PDE4D Q08499 2/20 0.47
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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 0.92 HSD17B1 (0.57) HSD17B1PDE4DLMNAMAPTKDM4E
SCHEMBL6606519 0.92 HSD17B1 (0.60) HSD17B1PDE4DLMNAMAPTKDM4E
SCHEMBL3989223 0.79 HSD17B1 (0.62) HSD17B1PDE4DMAPTKDM4EALDH1A1
SCHEMBL3989070 0.78 KDM4E (0.56) HSD17B1PDE4DKDM4EALDH1A1TUBB4A
SCHEMBL6603885 0.77 STK10 (0.45) LMNAMAPTKDM4EALDH1A1HSD17B10
SCHEMBL3986165 0.76 PTPRC (0.59) HSD17B1PDE4DMEN1USP2S100A4
SCHEMBL4096325 0.75 HSD17B1 (0.62) HSD17B1PDE4DKDM4EALDH1A1TUBB4A
SCHEMBL3992710 0.75 CYP1A1 (0.55) HSD17B1PDE4DMAPTKDM4EALDH1A1
SCHEMBL2585417 0.75 HSD17B1 (0.52) HSD17B1PDE4DKDM4EALDH1A1TUBB4A
SCHEMBL4090796 0.74 HSD17B1 (0.85) HSD17B1PDE4DKDM4EALDH1A1HSD17B10

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 651/4885PDE4D 3411/4885LMNA 4242/4885

“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.