SCHEMBL25328650

SCHEMBL25328650

CCc1c(C)c(C)cc(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
SHBG P04278 1/20 0.34
HMGB1 P09429 1/20 0.32
CXCL12 P48061 1/20 0.32
SLC11A2 P49281 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL30523819 1.00 ESR1 (0.43) ESR1ESR2CA1CA2PTGS1
SCHEMBL25328049 0.85 ESR1 (0.43) ESR1ESR2CA1CA2PTGS1
SCHEMBL31092524 0.85 ESR1 (0.43) ESR1ESR2CA1CA2PTGS1
SCHEMBL9461239 0.84 PGK1 (0.36) PGK1PGK2SLC11A2
SCHEMBL2047102 0.83 PGK1 (0.39) ESR1ESR2CA1CA2PTGS1
SCHEMBL5676441 0.83 SELL (0.40) ESR1ESR2CA1CA2ALOX5
SCHEMBL30523817 0.83 ESR1 (0.41) ESR1ESR2CA1CA2PTGS1
SCHEMBL13753712 0.83 ESR1 (0.41) ESR1ESR2CA1CA2PTGS1
SCHEMBL21515894 0.83 ESR1 (0.41) ESR1ESR2CA1CA2PTGS1
SCHEMBL25328523 0.81 ESR1 (0.40) ESR1ESR2CA1CA2PTGS1

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-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
CN-118613538-A Storage and/or transportation method of vinyl unsaturated compound 巴斯夫欧洲公司 2024-09-06 CN 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 75/4885CA1 4746/4885

“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.