SCHEMBL15831704

SCHEMBL15831704

CCCCOc1cnc(OC(C)C)c(C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CA9 Q16790 1/20 0.34
PLA2G4B P0C869 1/20 0.34

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
SCHEMBL15831705 0.87 RAB9A (0.40) KDM4ENPC1ALDH1A1RAB9ATP53
SCHEMBL10107523 0.85 PPARA (0.38) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL15814554 0.80 L3MBTL1 (0.48) RXRAALDH1A1SMN1; SMN2TSHRCA9
SCHEMBL13075016 0.78 KDM4E (0.39) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27845339 0.69 PTPN11 (0.47) CA9
SCHEMBL15815113 0.68 SCN9A (0.39) CA9
SCHEMBL6128444 0.68 PDE4A (0.47) ALDH1A1TP53TSHRCA9PLA2G4B
SCHEMBL13154632 0.67 THRA (0.46) TP53TSHRPLA2G4B
SCHEMBL18523517 0.67 RARB (0.40) TP53TSHR
SCHEMBL23748675 0.66 PLA2G2A (0.50) ALDH1A1TP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935238-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2017-12-27 EP disclosed
US-20170233368-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2017-08-17 US disclosed
US-20150175572-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2015-06-25 US disclosed
US-9040515-B2 Aryl and heteroaryl fused lactams PFIZER INC. (US) 2015-05-26 US disclosed
WO-2014097041-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2014-06-26 WO disclosed
US-20140179667-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2014-06-26 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 (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-20140179667-A1 ARYL AND HETEROARYL FUSED LACTAMS CCNY, MLX, NFXL1 RXRA 4183/4885KDM4E 988/4885NPC1 1680/4885
US-20170233368-A1 ARYL AND HETEROARYL FUSED LACTAMS CCNY, MLX, NFXL1 RXRA 4183/4885KDM4E 988/4885NPC1 1680/4885
US-20150175572-A1 ARYL AND HETEROARYL FUSED LACTAMS CCNY, MLX, NFXL1 RXRA 4183/4885KDM4E 988/4885NPC1 1680/4885

“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.