SCHEMBL25328340

SCHEMBL25328340

CCc1cc(C)c(O)c(C)c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SHBG P04278 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAOA P21397 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
EEF2K O00418 1/20 0.33
SRC P12931 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL30523837 1.00 ESR1 (0.39) ESR1ESR2GABRA1GABRB2CA1
SCHEMBL28824308 0.86 LDHA (0.42) ESR1ESR2GABRA1GABRB2CA1
SCHEMBL5680529 0.84 ESR1 (0.40) ESR1ESR2GABRA1GABRB2CA1
SCHEMBL31092527 0.84 ESR1 (0.40) ESR1ESR2GABRA1GABRB2CA1
SCHEMBL30523835 0.84 ESR1 (0.40) ESR1ESR2GABRA1GABRB2CA1
SCHEMBL25328523 0.84 ESR1 (0.40) ESR1ESR2GABRA1GABRB2CA1
SCHEMBL25329204 0.84 ESR1 (0.40) ESR1ESR2GABRA1GABRB2CA1
SCHEMBL25329046 0.84 GABRA1 (0.39) ESR1ESR2GABRA1GABRB2MAOA
SCHEMBL30523854 0.84 GABRA1 (0.39) ESR1ESR2GABRA1GABRB2MAOA
SCHEMBL25328308 0.83 MAOA (0.38) ESR1ESR2GABRA1GABRB2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145556-A1 STORAGE AND/OR TRANSPORT OF ETHYLENICALLY UNSATURATED COMPOUNDS BASF SE (DE) 2025-05-08 US disclosed
EP-4469513-A1 STORAGE AND/OR TRANSPORT OF ETHYLENICALLY UNSATURATED COMPOUNDS BASF SE (DE) 2024-12-04 EP disclosed
WO-2023143974-A1 STORAGE AND/OR TRANSPORT OF ETHYLENICALLY UNSATURATED COMPOUNDS BASF SE (DE) 2023-08-03 WO 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-20250145556-A1 STORAGE AND/OR TRANSPORT OF ETHYLENICALLY UNSATURATED COMPOUNDS ELOVL1, ELOVL6, ELOVL5 ESR1 64/4885ESR2 75/4885GABRA1 2436/4885

“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.