SCHEMBL4652946

SCHEMBL4652946

O=C(OC1CC/C=C\CCC1)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ PTPRF P10586 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL4652947 1.00 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL30773048 1.00 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL4653934 0.89 ALDH1A1 (0.56) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL9509179 0.88 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL111577 0.87 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL29510473 0.87 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL5272951 0.87 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL10791380 0.87 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL4652939 0.87 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL11595522 0.86 ALDH1A1 (0.54) ALDH1A1LMNACYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925842-B1 AROMATIC SUBSTANCE MIXTURES CONTAINING HEXYL SALICYLATE HENKEL AG & CO KGAA (DE) 2018-02-21 — — EP claimed
US-20150259628-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING HEXYL SALICYLATE HENKEL AG & CO. KGAA (DE) 2015-09-17 — — US claimed
EP-0168415-B1 UTILIZATION OF SALICYLIC ACID ESTERS AS PERFUMING SUBSTANCES, PERFUMING COMPOSITIONS CONTAINING THEM AND NEW SALICYLIC ACID ESTERS Henkel Kommanditgesellschaft auf Aktien (DE) 1987-08-12 — — EP claimed
US-4624802-A Salicylic acid esters of carbocyclic alcohols as perfumes or scenting agents, perfumery compositions and salicylic acid esters HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-11-25 — — US claimed
WO-2024037712-A1 1-CYCLOOCTYLPROPAN-2-ONE AS A FRAGRANCE SYMRISE AG (DE) 2024-02-22 — — WO disclosed
US-20150259628-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING HEXYL SALICYLATE HENKEL AG & CO. KGAA (DE) 2015-09-17 — — US disclosed
EP-1652834-B1 Process for producing salicylic esters KAO CORP (JP) 2008-10-01 — — EP disclosed
EP-1652834-A1 Process for producing salicylic esters KAO CORPORATION (JP) 2006-05-03 — — EP disclosed
US-20060058547-A1 Process for producing salicylic esters KAO CORPORATION (JP) 2006-03-16 — — US disclosed
EP-1634571-A1 Transesterification process for producing salicylic esters used in perfumes KAO CORPORATION (JP) 2006-03-15 — — EP disclosed
US-4624802-A Salicylic acid esters of carbocyclic alcohols as perfumes or scenting agents, perfumery compositions and salicylic acid esters HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-11-25 — — US disclosed
US-4624802-A Salicylic acid esters of carbocyclic alcohols as perfumes or scenting agents, perfumery compositions and salicylic acid esters HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-11-25 — — 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-20060058547-A1 Process for producing salicylic esters NOTUM, FASN, AGPS ALDH1A1 268/4885LMNA 4308/4885CYP3A4 89/4885

“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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