SCHEMBL6311799

SCHEMBL6311799

O=C(O)CCOc1c[c]ccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MMP2 P08253 1/20 0.47
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCL1 Q07820 1/20 0.42
LTA4H P09960 1/20 0.42
TSHR P16473 2/20 0.42
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PDK2 Q15119 1/20 0.41
PPARA Q07869 2/20 0.41
RECQL P46063 1/20 0.41
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL6314345 0.92 FFAR4 (0.50) TSHRFFAR1FFAR4PDK2PPARA
SCHEMBL1419247 0.82 ALOX15 (0.62) L3MBTL1LMNAFFAR1PPARAALOX15
SCHEMBL7003433 0.81 L3MBTL1 (0.42) L3MBTL1LMNALTA4HFFAR4PDK2
SCHEMBL5704638 0.81 KCNA3 (0.42) LTA4HRECQLPKM
SCHEMBL3154702 0.81 PDK2 (0.45) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL38674 0.79 L3MBTL1 (0.68) L3MBTL1MMP2LMNACYP1A2CYP3A4
SCHEMBL920448 0.78 ALDH1A1 (0.38) LTA4HRECQL
SCHEMBL4072387 0.78 ALDH1A1 (0.57) CYP3A4FFAR4PDK2RECQLPKM
SCHEMBL826073 0.78 L3MBTL1 (0.61) L3MBTL1MMP2LMNACYP1A2CYP3A4
SCHEMBL3168795 0.78 MAPT (0.43) L3MBTL1LMNALTA4HTSHR

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
CN-113135922-B Azepane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2023-05-30 CN disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR L3MBTL1 1957/4885MMP2 3358/4885LMNA 2720/4885

“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.