SCHEMBL18539773

SCHEMBL18539773

Cc1ccccc1-c1cccc(-c2ccccc2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.48
TRPV1 Q8NER1 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CHRM3 P20309 6/20 0.43

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
SCHEMBL18535719 0.93 BRD9 (0.50) BRD9TRPV1RXFP1ALDH1A1MEN1
SCHEMBL4414634 0.86 LMNA (0.48) BRD9TRPV1RXFP1ALDH1A1MEN1
SCHEMBL28444082 0.84 CHRM3 (0.52) BRD9ALDH1A1MEN1KMT2ALMNA
SCHEMBL3783577 0.84 CHRM3 (0.54) BRD9TRPV1RXFP1ALDH1A1MEN1
SCHEMBL30118373 0.82 HDAC1 (0.46) BRD9TRPV1RXFP1BRD4CREBBP
SCHEMBL2132727 0.82 HDAC1 (0.46) BRD9TRPV1RXFP1BRD4CREBBP
Acetic Acid SCHEMBL1157172 0.82 CHRM3 (0.50) BRD9ALDH1A1MEN1KMT2ALMNA
SCHEMBL27847182 0.80 ALDH1A1 (0.57) BRD9TRPV1ALDH1A1MEN1KMT2A
SCHEMBL1534089 0.80 NPC1 (0.58) BRD9RXFP1ALDH1A1KMT2ALMNA
SCHEMBL29246622 0.79 BRD9 (0.44) BRD9TRPV1RXFP1ALDH1A1MEN1

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-20170050918-A1 PROCESS FOR PREPARING SYMMETRIC PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 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-20170050918-A1 PROCESS FOR PREPARING SYMMETRIC PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS C1R, M6PR, C3AR1 BRD9 3481/4885TRPV1 165/4885RXFP1 1321/4885

“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.