SCHEMBL5009832

SCHEMBL5009832

COc1ccc2c(C(=O)NCCCCC(=O)O)cc3cc4c(cc3c2c1)OCO4

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 3/20 0.47
▸ EGLN1 Q9GZT9 2/20 0.47
▸ HPGD P15428 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL5007588 0.86 HDAC1 (0.47) EGLN2EGLN1ALDH1A1RAB9AHDAC1
SCHEMBL5006693 0.83 SLC2A1 (0.44) EGLN2EGLN1ALDH1A1MAPTPOLB
SCHEMBL5006687 0.83 SLC2A1 (0.45) EGLN2EGLN1ALDH1A1MAPTRAB9A
SCHEMBL3918559 0.83 SLC2A1 (0.45) EGLN2EGLN1ALDH1A1MAPTRAB9A
SCHEMBL5004143 0.82 HDAC1 (0.45) RAB9AHDAC1HDAC2HDAC3HDAC4
SCHEMBL3921382 0.80 EDNRA (0.50) HPGDALDH1A1POLBKDM4ECTSL
SCHEMBL10049566 0.79 L3MBTL1 (0.48) HPGDALDH1A1MAPTRAB9APOLB
SCHEMBL3999252 0.76 SLC2A1 (0.44) HPGDALDH1A1MAPTRAB9APOLB
SCHEMBL13593371 0.71 NAMPT (0.62) HPGDALDH1A1RAB9APOLBHDAC1
SCHEMBL5657596 0.71 POLB (0.65) EGLN2EGLN1ALDH1A1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188089-B2 Tylophorine analogs as antitumor agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 — — US disclosed
US-20080300254-A1 Tylophorine Analogs as Antitumor Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 — — US 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-20080300254-A1 Tylophorine Analogs as Antitumor Agents RPL30, RPL18A, RPP30 EGLN2 2110/4885EGLN1 894/4885HPGD 3653/4885

“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.

Send feedback