SCHEMBL1954584

SCHEMBL1954584

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.66
▸ GPBAR1 Q8TDU6 3/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ TDP1 Q9NUW8 3/20 0.66
▸ AKR1B10 O60218 2/20 0.66
▸ AKR1B1 P15121 2/20 0.66
▸ EFNA1 P20827 1/20 0.66
▸ PSEN1 P49768 1/20 0.66
▸ PSEN2 P49810 1/20 0.66
▸ APH1B Q8WW43 1/20 0.66
▸ NCSTN Q92542 1/20 0.66
▸ APH1A Q96BI3 1/20 0.66
▸ PSENEN Q9NZ42 1/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ OSBP P22059 1/20 0.58
▸ OSBP2 Q969R2 1/20 0.58

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
SCHEMBL3119076 0.93 EPHA2 (0.69) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL28514223 0.91 EPHA2 (0.67) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL2155405 0.91 EPHA2 (0.67) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL28088042 0.90 EPHA2 (0.67) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL27635313 0.90 EPHA2 (0.67) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL14676689 0.90 CYP2D6 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL28898907 0.90 CYP2D6 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL4739596 0.90 CYP2D6 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL288945 0.90 CYP2D6 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL135273 0.90 CYP2D6 (0.71) EPHA2GPBAR1HSD17B10TDP1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2506856-B1 AMINOSTEROID COMPOUNDS FOR TOPIC LOCAL APPLICATION FOR SKIN-MUCOSA DECOLONISATION OF STAPHYLOCOCCUS AUREUS ASSIST PUBLIQUE HOPITAUX DE MARSEILLE (FR) 2019-01-02 — — EP claimed
US-9700051-B2 Use of squalamine or analogue as a disinfecting agent Assistance Publique—Hopitaux de Marseille (FR) 2017-07-11 — — US claimed
US-20150005274-A1 USE OF SQUALAMINE OR ANALOGUE AS A DISINFECTING AGENT ASSISTANCE PUBLIQUE - HOPITAUX DE MARSEILLE (FR) 2015-01-01 — — US claimed
EP-2802214-A1 USE OF SQUALAMINE OR ANALOGUE AS A DISINFECTING AGENT Assistance Publique Hôpitaux de Marseille (FR) 2014-11-19 — — EP claimed
WO-2013104849-A1 USE OF SQUALAMINE OR ANALOGUE AS A DISINFECTING AGENT ASSISTANCE PUBLIQUE - HOPITAUX DE MARSEILLE (FR) 2013-07-18 — — WO claimed
EP-2506856-A1 AMINOSTEROID COMPOUNDS FOR TOPIC LOCAL APPLICATION FOR SKIN-MUCOSA DECOLONISATION OF STAPHYLOCOCCUS AUREUS Assistance Publique Hôpitaux de Marseille (FR) 2012-10-10 — — EP claimed
WO-2011067501-A1 LOCAL TOPICAL APPLICATION AMINOSTEROID COMPOUNDS FOR MUCOUS/CUTANEOUS DECOLONIZATION OF STAPHYLOCOCCUS AUREUS ASSISTANCE PUBLIQUE - HOPITAUX DE MARSEILLE (FR) 2011-06-09 — — WO claimed
EP-2506856-B1 AMINOSTEROID COMPOUNDS FOR TOPIC LOCAL APPLICATION FOR SKIN-MUCOSA DECOLONISATION OF STAPHYLOCOCCUS AUREUS ASSIST PUBLIQUE HOPITAUX DE MARSEILLE (FR) 2019-01-02 — — EP disclosed
US-9700051-B2 Use of squalamine or analogue as a disinfecting agent Assistance Publique—Hopitaux de Marseille (FR) 2017-07-11 — — US disclosed
US-20150005274-A1 USE OF SQUALAMINE OR ANALOGUE AS A DISINFECTING AGENT ASSISTANCE PUBLIQUE - HOPITAUX DE MARSEILLE (FR) 2015-01-01 — — US disclosed
EP-2802214-A1 USE OF SQUALAMINE OR ANALOGUE AS A DISINFECTING AGENT Assistance Publique Hôpitaux de Marseille (FR) 2014-11-19 — — EP disclosed
WO-2013104849-A1 USE OF SQUALAMINE OR ANALOGUE AS A DISINFECTING AGENT ASSISTANCE PUBLIQUE - HOPITAUX DE MARSEILLE (FR) 2013-07-18 — — WO disclosed
EP-2506856-A1 AMINOSTEROID COMPOUNDS FOR TOPIC LOCAL APPLICATION FOR SKIN-MUCOSA DECOLONISATION OF STAPHYLOCOCCUS AUREUS Assistance Publique Hôpitaux de Marseille (FR) 2012-10-10 — — EP disclosed
WO-2011067501-A1 LOCAL TOPICAL APPLICATION AMINOSTEROID COMPOUNDS FOR MUCOUS/CUTANEOUS DECOLONIZATION OF STAPHYLOCOCCUS AUREUS ASSISTANCE PUBLIQUE - HOPITAUX DE MARSEILLE (FR) 2011-06-09 — — 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-20150005274-A1 USE OF SQUALAMINE OR ANALOGUE AS A DISINFECTING AGENT SQLE, SHARPIN, IL5 EPHA2 4417/4885GPBAR1 1876/4885HSD17B10 535/4885

“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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