SCHEMBL5006650

SCHEMBL5006650

COc1ccc2c(CN3CCC(CCO)CC3)cc3cc4c(cc3c2c1)OCO4

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 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
Hydrochloric Acid SCHEMBL4283833 0.99 MCHR1 (0.42) MCHR1KCNH2KDM4EALDH1A1ACHE
SCHEMBL3917777 0.92 MCHR1 (0.44) MCHR1KCNH2KDM4EALDH1A1CCR3
Hydrochloric Acid SCHEMBL5007613 0.91 MCHR1 (0.43) MCHR1KCNH2KDM4EALDH1A1CCR3
SCHEMBL3917098 0.86 ALDH1A1 (0.45) MCHR1KCNH2KDM4EALDH1A1RAB9A
SCHEMBL3927696 0.84 ALDH1A1 (0.50) MCHR1KCNH2KDM4EALDH1A1
SCHEMBL13448653 0.80 MEN1 (0.41) MCHR1KDM4EALDH1A1ACHE
SCHEMBL10017899 0.79 RAB9A (0.41) MCHR1KDM4ENPC1RAB9A
SCHEMBL5004141 0.78 SPHK2 (0.46) KCNH2KDM4EALDH1A1
SCHEMBL5007595 0.78 SPHK2 (0.46) KCNH2KDM4EALDH1A1
SCHEMBL10049565 0.78 ALOX5 (0.47) KDM4EALDH1A1NPC1RAB9A

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 MCHR1 238/4885KCNH2 695/4885KDM4E 3843/4885

“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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