SCHEMBL3990619

SCHEMBL3990619

COc1ccc2c(CNCCCCCCO)cc3cc4c(cc3c2c1)OCO4

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.46
▸ KMT2A Q03164 2/20 0.39
▸ PDCD1 Q15116 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ CTSL P07711 2/20 0.37
▸ CTSB P07858 2/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5007688 1.00 SLC2A1 (0.46) SLC2A1KMT2APDCD1CD274CTSL
Hydrochloric Acid SCHEMBL5006725 0.99 SLC2A1 (0.45) SLC2A1KMT2APDCD1CD274CTSL
SCHEMBL5006687 0.88 SLC2A1 (0.45) SLC2A1KMT2ACTSLCTSBKDM4E
SCHEMBL3918559 0.88 SLC2A1 (0.45) SLC2A1KMT2ACTSLCTSBKDM4E
SCHEMBL3999252 0.87 SLC2A1 (0.44) SLC2A1KMT2ACTSLCTSBKDM4E
SCHEMBL5006693 0.87 SLC2A1 (0.44) SLC2A1KMT2ACTSLCTSBKDM4E
SCHEMBL5006756 0.82 KCNH2 (0.38) CTSLCTSBKDM4EUSP2ALDH1A1
SCHEMBL10049565 0.81 ALOX5 (0.47) CTSLCTSBKDM4EUSP2ALDH1A1
SCHEMBL10049569 0.76 CTSL (0.44) CTSLCTSBPDE5ASMN1; SMN2
SCHEMBL5009709 0.75 MAOB (0.45) PDCD1CD274SMN1; SMN2

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 5 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
EP-1968975-A4 TYLOPHORINE ANALOGS AS ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2009-03-25 — — EP 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
EP-1968975-A2 TYLOPHORINE ANALOGS AS ANTITUMOR AGENTS The University of North Carolina at Chapel Hill (US) 2008-09-17 — — EP disclosed
WO-2007081540-A2 TYLOPHORINE ANALOGS AS ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-07-19 — — WO 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 SLC2A1 4242/4885KMT2A 2769/4885PDCD1 3181/4885

“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.

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