SCHEMBL1974338

SCHEMBL1974338

CC(C=Cc1ccccc1)CCOCCC(C)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.39
MTOR P42345 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHAT P28329 1/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNB2 P17787 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PMP22 Q01453 1/20 0.38

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
SCHEMBL9427287 0.81 HTR2A (0.44) HTR2AMEN1KMT2ANPC1MTOR
SCHEMBL7553006 0.80 ALDH1A1 (0.43) CYP3A4CYP2C9MAPK1CYP2C19LMNA
SCHEMBL7553010 0.80 ALDH1A1 (0.43) CYP3A4CYP2C9MAPK1CYP2C19LMNA
SCHEMBL7551917 0.79 HTR2A (0.47) HTR2AMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7551925 0.79 HTR2A (0.47) HTR2AMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7554416 0.79 HTR2A (0.47) HTR2AMEN1KMT2ACYP3A4CYP2C9
SCHEMBL2787289 0.78 HTR2A (0.42) HTR2AMEN1KMT2ALMNARELA
SCHEMBL6859717 0.76 EGFR (0.42) HTR2AMEN1KMT2ATP53LMNA
SCHEMBL489023 0.76 MEN1 (0.50) HTR2AMEN1KMT2ANPC1MTOR
SCHEMBL16874337 0.76 MEN1 (0.50) HTR2AMEN1KMT2ANPC1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557262-B2 Divinyl ether derivatives capable of releasing active aldehydes and ketones and methods of use for perfuming surfaces FIRMENICH SA (CH) 2013-10-15 US claimed
EP-2334626-A1 DIVINYL ETHER DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES AND KETONES AND METHODS OF USE FOR PERFUMING SURFACES Firmenich S.A. (CH) 2011-06-22 EP claimed
US-20110142776-A1 DIVINYL ETHER DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES AND KETONES AND METHODS OF USE FOR PERFUMING SURFACES FIRMENICH SA (CH) 2011-06-16 US claimed
WO-2010029462-A1 DIVINYL ETHER DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES AND KETONES AND METHODS OF USE FOR PERFUMING SURFACES FIRMENICH SA (CH) 2010-03-18 WO claimed
US-8557262-B2 Divinyl ether derivatives capable of releasing active aldehydes and ketones and methods of use for perfuming surfaces FIRMENICH SA (CH) 2013-10-15 US disclosed
EP-2334626-A1 DIVINYL ETHER DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES AND KETONES AND METHODS OF USE FOR PERFUMING SURFACES Firmenich S.A. (CH) 2011-06-22 EP disclosed
US-20110142776-A1 DIVINYL ETHER DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES AND KETONES AND METHODS OF USE FOR PERFUMING SURFACES FIRMENICH SA (CH) 2011-06-16 US disclosed
WO-2010029462-A1 DIVINYL ETHER DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES AND KETONES AND METHODS OF USE FOR PERFUMING SURFACES FIRMENICH SA (CH) 2010-03-18 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-20110142776-A1 DIVINYL ETHER DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES AND KETONES AND METHODS OF USE FOR PERFUMING SURFACES DBN1, DECR2, DECR1 HTR2A 257/4885MEN1 3374/4885KMT2A 2371/4885

“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.