SCHEMBL17023753

SCHEMBL17023753

CC(C)(C)c1ccc(C(=O)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 7/20 0.76
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
RECQL P46063 1/20 0.58
CYP3A4 P08684 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
CACNA1F O60840 1/20 0.57
GMNN O75496 1/20 0.57
USP2 O75604 1/20 0.57
EGFR P00533 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
FYN P06241 1/20 0.57
CHRM2 P08172 1/20 0.57
ABCB1 P08183 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
GAA P10253 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
SCHEMBL17023754 0.88 CYP2J2 (0.87) CYP2J2CYP3A4CYP2C9CYP2B6
SCHEMBL11826925 0.86 CYP2J2 (1.00) CYP2J2HTTCYP3A4NPC1EGFR
Terfenadone SCHEMBL11364486 0.86 CYP2J2 (1.00) CYP2J2HTTCYP3A4NPC1EGFR
Terfenadone SCHEMBL11801242 0.85 CYP2J2 (0.98) CYP2J2HTTCYP3A4NPC1EGFR
SCHEMBL11865762 0.85 CYP2J2 (0.94) CYP2J2CYP3A4CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL11830435 0.85 CYP2J2 (0.98) CYP2J2HTTCYP3A4NPC1EGFR
Hydrochloric Acid SCHEMBL11788682 0.84 KCNH2 (0.58) CYP2J2HTTNPSR1RECQLCYP3A4
Hydrochloric Acid SCHEMBL11861215 0.84 CYP2J2 (0.92) CYP2J2CYP3A4CYP2C9CYP2B6
SCHEMBL11866494 0.84 CYP2J2 (0.92) CYP2J2CYP3A4CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL11862906 0.83 CYP2J2 (0.90) CYP2J2CYP3A4CYP2C9CYP2B6

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 2123/4885HTT 3909/4885NPSR1 3622/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO CYP2J2 2123/4885HTT 3909/4885NPSR1 3622/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO CYP2J2 2123/4885HTT 3909/4885NPSR1 3622/4885

“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.