SCHEMBL17023758

SCHEMBL17023758

CC(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.78
▸ CYP3A4 P08684 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ CYP2B6 P20813 2/20 0.73
▸ KCNH2 Q12809 3/20 0.58
▸ HRH1 P35367 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ CNR1 P21554 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ PDE4A P27815 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ DRD2 P14416 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
Water SCHEMBL6325014 0.91 CYP2J2 (0.74) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL2763481 0.89 CYP2J2 (0.75) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL3949330 0.89 CYP2J2 (0.78) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL11798280 0.89 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL12139245 0.88 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL17023776 0.88 CYP2J2 (0.80) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
Hydrochloric Acid SCHEMBL11541690 0.88 CYP2J2 (0.83) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL5311000 0.88 CYP2J2 (0.90) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL18609375 0.87 CYP2J2 (0.62) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
Hydrochloric Acid SCHEMBL11791455 0.87 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 — — US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 — — US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — 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 (3 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-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO CYP2J2 2123/4885CYP3A4 2777/4885CYP2C9 1884/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO CYP2J2 2123/4885CYP3A4 2777/4885CYP2C9 1884/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO CYP2J2 2123/4885CYP3A4 2777/4885CYP2C9 1884/4885

“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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