SCHEMBL4092723

SCHEMBL4092723

COc1ccc(C=CCCO)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
NFE2L2 Q16236 2/20 0.57
CYP1B1 Q16678 5/20 0.54
TUBB1 Q9H4B7 3/20 0.54
CYP1A2 P05177 2/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54

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
SCHEMBL2684387 1.00 CYP1A1 (0.57) CYP1A1PTGS1PTGS2NFE2L2CYP1B1
Acetic Acid SCHEMBL8820510 0.92 SMN1; SMN2 (0.59) CYP1A1PTGS1PTGS2NFE2L2CYP1B1
SCHEMBL9763361 0.88 FDPS (0.48) CYP1A1PTGS1PTGS2NFE2L2TUBB1
SCHEMBL9763371 0.88 FDPS (0.48) CYP1A1PTGS1PTGS2NFE2L2TUBB1
SCHEMBL2458079 0.86 CYP1A1 (0.61) CYP1A1PTGS1PTGS2NFE2L2CYP1B1
SCHEMBL1301186 0.86 CYP1A1 (0.61) CYP1A1PTGS1PTGS2NFE2L2CYP1B1
SCHEMBL30625282 0.86 CYP1A1 (0.61) CYP1A1PTGS1PTGS2NFE2L2CYP1B1
SCHEMBL1301189 0.86 CYP1A1 (0.61) CYP1A1PTGS1PTGS2NFE2L2CYP1B1
SCHEMBL10463994 0.83 APP (0.63) ALDH1A1HPGDSMN1; SMN2KDM4EAPP
SCHEMBL10463991 0.83 APP (0.63) ALDH1A1HPGDSMN1; SMN2KDM4EAPP

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
US-20090202666-A1 COSMETIC USE OF A CASSUMUNARIN, AN ARYLBUTENOID, AND/OR A BOTANICAL EXTRACT CONTAINING THEM CHANEL PARFUMS BEAUTE (FR) 2009-08-13 US claimed
EP-1870136-A1 Cosmetic use of a cussumunarine, an arylbutenoid and/or a plant extract containing the same Chanel Parfums Beauté (FR) 2007-12-26 EP claimed
CN-104450852-A Method for preparing homoallylic alcohol compound UNIV NINGXIA 2015-03-25 CN disclosed
US-20090202666-A1 COSMETIC USE OF A CASSUMUNARIN, AN ARYLBUTENOID, AND/OR A BOTANICAL EXTRACT CONTAINING THEM CHANEL PARFUMS BEAUTE (FR) 2009-08-13 US disclosed
EP-1870136-A1 Cosmetic use of a cussumunarine, an arylbutenoid and/or a plant extract containing the same Chanel Parfums Beauté (FR) 2007-12-26 EP 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-20090202666-A1 COSMETIC USE OF A CASSUMUNARIN, AN ARYLBUTENOID, AND/OR A BOTANICAL EXTRACT CONTAINING THEM ARNT, AHR, CUTA CYP1A1 109/4885PTGS1 4161/4885PTGS2 3841/4885

“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.