SCHEMBL3917098

SCHEMBL3917098

COc1ccc2c(CN3CCN(CCO)CC3)cc3cc4c(cc3c2c1)OCO4

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HTT P42858 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MCHR1 Q99705 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ P4HB P07237 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
SCHEMBL5006650 0.86 MCHR1 (0.43) ALDH1A1KDM4ERAB9AMCHR1KCNH2
SCHEMBL3917777 0.85 MCHR1 (0.44) ALDH1A1KDM4EHTTMAPTALOX15
Hydrochloric Acid SCHEMBL4283833 0.85 MCHR1 (0.42) ALDH1A1KDM4ERAB9AMCHR1KCNH2
Hydrochloric Acid SCHEMBL5007613 0.85 MCHR1 (0.43) ALDH1A1KDM4EHTTMAPTALOX15
SCHEMBL3927696 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL10049565 0.81 ALOX5 (0.47) ALDH1A1KDM4EHTTLMNAPDE1A
SCHEMBL5007595 0.78 SPHK2 (0.46) ALDH1A1KDM4ELMNAKCNH2
SCHEMBL5004141 0.78 SPHK2 (0.46) ALDH1A1KDM4ELMNAKCNH2
SCHEMBL5004139 0.77 SPHK2 (0.43) ALDH1A1KDM4EKCNH2
SCHEMBL10049569 0.77 CTSL (0.44) MAPTALOX15TDP1LMNARAB9A

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 ALDH1A1 2860/4885KDM4E 3843/4885HTT 185/4885

“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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