SCHEMBL21392786

SCHEMBL21392786

C=CC(=O)n1ccc2cc(CC(C)C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.39
S1PR1 P21453 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S1PR3 Q99500 1/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35

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
SCHEMBL21401774 0.79 TYR (0.37) SMN1; SMN2ALDH1A1KRAS
SCHEMBL20905230 0.74 AKR1C3 (0.38) OXER1AKR1C3AKR1C2KRAS
SCHEMBL20905233 0.74 OXER1 (0.54) OXER1HTR2AKRAS
SCHEMBL21808239 0.74 KRAS (0.50) HTR2AKRAS
SCHEMBL20905232 0.74 TFPI2 (0.47) OXER1ALDH1A1HTR2AKRAS
SCHEMBL31357337 0.74 KRAS (0.50) HTR2AKRAS
SCHEMBL20905148 0.73 TUBB1 (0.56) SMN1; SMN2ALDH1A1POLBL3MBTL1PTGS1
SCHEMBL26815111 0.71 PRKCI (0.50) GABRA1GABRB2
SCHEMBL20905228 0.71 TP53 (0.44) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL21392869 0.70 HTR7 (0.37) OXER1SMN1; SMN2MEN1ALDH1A1POLB

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-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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 (2 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 OXER1 3268/4885S1PR1 3620/4885GABRA1 2696/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 OXER1 3268/4885S1PR1 3620/4885GABRA1 2696/4885

“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.