SCHEMBL29876789

SCHEMBL29876789

C/C=C/c1cc(C)c(O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.57
▸ PTGS2 P35354 4/20 0.57
▸ ALOX5 P09917 4/20 0.57
▸ EGFR P00533 1/20 0.57
▸ TYR P14679 1/20 0.56
▸ ABL1 P00519 1/20 0.53
▸ BCR P11274 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2B6 P20813 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ TUBB1 Q9H4B7 3/20 0.49
▸ CCR3 P51677 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NFKB1 P19838 1/20 0.45
▸ STAT3 P40763 1/20 0.45

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
SCHEMBL23829549 1.00 PTGS1 (0.57) PTGS1PTGS2ALOX5EGFRTYR
SCHEMBL16362238 0.89 ABL1 (0.67) PTGS1PTGS2ALOX5EGFRABL1
SCHEMBL424528 0.88 ABL1 (0.66) PTGS1PTGS2ALOX5TYRABL1
SCHEMBL1245762 0.88 ABL1 (0.66) PTGS1PTGS2ALOX5TYRABL1
SCHEMBL3504047 0.88 ABL1 (0.66) PTGS1PTGS2ALOX5TYRABL1
SCHEMBL21852875 0.85 TYR (0.65) PTGS1PTGS2ALOX5EGFRTYR
SCHEMBL10602315 0.85 TYR (0.65) PTGS1PTGS2ALOX5EGFRTYR
SCHEMBL30491036 0.85 TYR (0.65) PTGS1PTGS2ALOX5EGFRTYR
SCHEMBL2119058 0.85 TYR (0.65) PTGS1PTGS2ALOX5EGFRTYR
SCHEMBL21841319 0.83 TYR (0.58) PTGS1PTGS2ALOX5TYRABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242894-A1 MODIFIED BIOMASS EXTRACTS FIRMENICH SA (CH) 2025-11-27 — — WO disclosed
US-20240182393-A1 SELECTIVE CATALYTIC ALKENE ISOMERIZATION FOR MAKING FRAGRANCE INGREDIENTS OR INTERMEDIATES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2024-06-06 — — US disclosed
EP-4313926-A2 SELECTIVE CATALYTIC ALKENE ISOMERIZATION FOR MAKING FRAGRANCE INGREDIENTS OR INTERMEDIATES International Flavors & Fragrances Inc. (US) 2024-02-07 — — EP disclosed
CN-117083259-A Selective catalytic olefin isomerization for the manufacture of perfume ingredients or intermediates 国际香精香料公司 2023-11-17 — — CN disclosed
WO-2022203964-A2 SELECTIVE CATALYTIC ALKENE ISOMERIZATION FOR MAKING FRAGRANCE INGREDIENTS OR INTERMEDIATES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-09-29 — — 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-20240182393-A1 SELECTIVE CATALYTIC ALKENE ISOMERIZATION FOR MAKING FRAGRANCE INGREDIENTS OR INTERMEDIATES TPSD1, CYP51A1, TPSB2 PTGS1 1185/4885PTGS2 660/4885ALOX5 32/4885

“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.

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