SCHEMBL949707

SCHEMBL949707

O=C(CBr)OCC(=O)OC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.33
CYP19A1 P11511 1/20 0.33
HSD11B1 P28845 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
MDH1 P40925 1/20 0.31
MDH2 P40926 1/20 0.31

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
SCHEMBL5512258 0.90 PKM (0.38) ALDH1A1PKMCYP19A1HSD11B1THRB
SCHEMBL950652 0.87 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ALMNAPKM
SCHEMBL953272 0.87 TRPA1 (0.31) ALDH1A1
SCHEMBL950538 0.86 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ALMNAPKM
SCHEMBL952296 0.85 CYP19A1 (0.44) ALDH1A1LMNACYP19A1THRBNPSR1
SCHEMBL12705353 0.82 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ALMNAPKM
SCHEMBL14727924 0.81 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ALMNAPKM
SCHEMBL685948 0.81 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ALMNAPKM
SCHEMBL950465 0.80 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ALMNAHSD11B1
SCHEMBL685714 0.80 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ALMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US claimed
US-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-31 US disclosed
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 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-20130030212-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A ALDH1A1 313/4885NPC1 4401/4885RAB9A 2561/4885
US-20130023693-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A ALDH1A1 313/4885NPC1 4401/4885RAB9A 2561/4885
US-20110009661-A1 COMPOUND HAVING ALICYCLIC STRUCTURE, (METH)ACRYLIC ACID ESTER, AND PROCESS FOR PRODUCTION OF THE (METH)ACRYLIC ACID ESTER ALAD, MMAB, MAT1A ALDH1A1 313/4885NPC1 4401/4885RAB9A 2561/4885

“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.