SCHEMBL10455686

SCHEMBL10455686

C=CCc1ccc(C(C)C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 1/20 0.38
XDH P47989 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL9636753 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL9578892 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL7193434 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL21628043 0.78 TYR (0.46) TP53TSHRPTGS2MAPK1KDM4E
SCHEMBL11129645 0.78 PTGS1 (0.36) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL2701185 0.78 TSHR (0.47) ALDH1A1SMN1; SMN2TP53TSHRMAPK1
SCHEMBL11361975 0.77 TP53 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL4904490 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL7732432 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL16103898 0.76 IDO1 (0.43) TP53TSHRPTGS2PTGS1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226566-B1 OXIDATION OF 2-ARYLPROPANALS MONSANTO COMPANY (US) 1990-08-29 EP claimed
EP-0226566-A1 Oxidation of 2-arylpropanals MONSANTO COMPANY (US) 1987-06-24 EP claimed
US-3965161-A Process of producing a 2-(4-alkylphenyl)-propionic acid NISSHIN FLOUR MILLING CO., LTD. (JA) 1976-06-22 US claimed
US-20240084216-A1 FRAGRANCES WITH NOTE OF LILY OF THE VALLEY SYMRISE AG (DE) 2024-03-14 US disclosed
US-20210395641-A1 PERFUMING INGREDIENTS WITH LILY OF THE VALLEY NOTE SYMRISE AG (DE) 2021-12-23 US disclosed
EP-3880777-A1 PERFUMING INGREDIENTS WITH LILY OF THE VALLEY NOTE Symrise AG (DE) 2021-09-22 EP disclosed
WO-2020098923-A1 PERFUMING INGREDIENTS WITH LILY OF THE VALLEY NOTE SYMRISE AG (DE) 2020-05-22 WO disclosed
EP-2578671-B1 Aromatic substances with lily of the valley note SYMRISE AG (DE) 2015-12-30 EP disclosed
US-20130090390-A1 FRAGRANCES WITH NOTE OF LILY OF THE VALLEY SYMRISE AG (DE) 2013-04-11 US disclosed
EP-2578671-A1 Aromatic substances with lily of the valley note Symrise AG (DE) 2013-04-10 EP disclosed
US-3965161-A Process of producing a 2-(4-alkylphenyl)-propionic acid NISSHIN FLOUR MILLING CO., LTD. (JA) 1976-06-22 US disclosed
US-3965161-A Process of producing a 2-(4-alkylphenyl)-propionic acid NISSHIN FLOUR MILLING CO., LTD. (JA) 1976-06-22 US disclosed
US-3925458-A Process for preparing 2-(4-alkylphenyl)-propion-aldehyde and propionic acid NISSHIN FLOUR MILLING CO 1975-12-09 US disclosed
US-3925458-A Process for preparing 2-(4-alkylphenyl)-propion-aldehyde and propionic acid NISSHIN FLOUR MILLING CO 1975-12-09 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 (3 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-20130090390-A1 FRAGRANCES WITH NOTE OF LILY OF THE VALLEY DPM1, CD99, SUV39H2 ALDH1A1 71/4885CYP3A4 1285/4885SMN1; SMN2 3336/4885
US-20210395641-A1 PERFUMING INGREDIENTS WITH LILY OF THE VALLEY NOTE PIR, ALG3, PNN ALDH1A1 964/4885CYP3A4 811/4885SMN1; SMN2 4744/4885
US-20240084216-A1 FRAGRANCES WITH NOTE OF LILY OF THE VALLEY DPM1, CD99, SUV39H2 ALDH1A1 71/4885CYP3A4 1285/4885SMN1; SMN2 3336/4885

“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.