SCHEMBL30549451

SCHEMBL30549451

O=C(O)C1(CCCCCc2ccccc2CCCCC2(C(=O)O)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BID P55957 4/20 0.40
MCL1 Q07820 4/20 0.40
BCL2L1 Q07817 3/20 0.40
BAK1 Q16611 3/20 0.40
TBXAS1 P24557 2/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35

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
SCHEMBL22921249 1.00 BID (0.40) BIDMCL1BCL2L1BAK1TBXAS1
SCHEMBL22921393 1.00 BID (0.40) BIDMCL1BCL2L1BAK1TBXAS1
SCHEMBL22921522 1.00 BID (0.40) BIDMCL1BCL2L1BAK1TBXAS1
SCHEMBL30549452 1.00 BID (0.40) BIDMCL1BCL2L1BAK1TBXAS1
SCHEMBL22921419 1.00 BID (0.40) BIDMCL1BCL2L1BAK1TBXAS1
SCHEMBL22921485 0.98 BID (0.37) BIDMCL1BCL2L1BAK1TBXAS1
SCHEMBL30361819 0.97 BID (0.36) BIDMCL1BCL2L1BAK1TBXAS1
SCHEMBL25996445 0.97 BID (0.36) BIDMCL1BCL2L1BAK1TBXAS1
SCHEMBL30549450 0.93 AKR1C1 (0.36) BIDMCL1BCL2L1BAK1MAPT
SCHEMBL22921430 0.93 AKR1C1 (0.36) BIDMCL1BCL2L1BAK1MAPT

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
EP-4003314-B1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS USEFUL FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS INC (US) 2024-07-10 EP disclosed
US-11730712-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease ESPERVITA THERAPEUTICS, INC. (US) 2023-08-22 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-11730712-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease CPT1A, PPARG, PC BID 386/4885MCL1 1775/4885BCL2L1 1566/4885

“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.