SCHEMBL24312004

SCHEMBL24312004

N[C@@H](CC=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
SRR Q9GZT4 2/20 0.46
PSAT1 Q9Y617 2/20 0.46
ANPEP P15144 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ACP3 P15309 1/20 0.42
FFAR1 O14842 1/20 0.42
PPARG P37231 6/20 0.41
PPARA Q07869 5/20 0.41
MME P08473 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
ABCC4 O15439 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.40
AGXT P21549 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
SCHEMBL9908069 0.89 EPHX1 (0.64) EPHX1ANPEPTAAR1PTGS1
SCHEMBL11947633 0.89 EPHX1 (0.64) EPHX1ANPEPTAAR1PTGS1
SCHEMBL4975192 0.89 EPHX1 (0.64) EPHX1ANPEPTAAR1PTGS1
SCHEMBL14959390 0.83 TAAR1 (0.55) TAAR1FFAR1MMEAGXT
SCHEMBL10273446 0.79 SLC6A4 (0.42) EPHX1ANPEPTSHR
SCHEMBL18647219 0.79 SRR (0.50) EPHX1SRRPSAT1TAAR1ACP3
SCHEMBL24311844 0.79 SRR (0.50) EPHX1SRRPSAT1TAAR1ACP3
SCHEMBL13962960 0.79 SRR (0.50) EPHX1SRRPSAT1TAAR1ACP3
SCHEMBL10051066 0.78 SLC6A4 (0.67) EPHX1ANPEPTAAR1PPARGPPARA
SCHEMBL19003879 0.78 SLC6A4 (0.67) EPHX1ANPEPTAAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS EPHX1 1669/4885SRR 3486/4885PSAT1 808/4885

“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.