SCHEMBL10312507

SCHEMBL10312507

Cc1ccc2cc(CCC(=O)OC(C)(C)C)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CYP1A2 P05177 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC8 Q9BY41 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL29059942 0.87 CYP1A2 (0.53) LMNACYP1A2MAPTKDM4ENPC1
SCHEMBL7420345 0.84 CYP4F2 (0.49) LMNAMAPTKDM4ENPC1RAB9A
SCHEMBL4548369 0.84 MAPT (0.67) LMNACYP1A2MAPTKDM4ENPC1
SCHEMBL28623133 0.82 TDP1 (0.48) LMNAKDM4ERAB9AHDAC8L3MBTL1
SCHEMBL4057029 0.82 KDM4E (0.49) LMNACYP1A2MAPTKDM4ENPC1
SCHEMBL22504317 0.81 TRPV1 (0.43) LMNACYP1A2MAPTKDM4ENPC1
SCHEMBL10312504 0.81 LMNA (0.42) LMNACYP1A2MAPTKDM4ENPC1
SCHEMBL10982252 0.81 CYP4F2 (0.50) FFAR1CYP4F2CYP4A11ALDH1A1TDP1
SCHEMBL17921312 0.80 CYP4F2 (0.41) NPC1RAB9ASMN1; SMN2HDAC8FFAR1
SCHEMBL18267809 0.78 HDAC8 (0.49) KDM4ERAB9AHDAC8L3MBTL1FFAR1

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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 LMNA 909/4885CYP1A2 623/4885MAPT 2701/4885

“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.