SCHEMBL3222249

SCHEMBL3222249

C/C(C=O)=C\c1cccc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TSHR P16473 1/20 0.62
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 3/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
FBP1 P09467 1/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
ACHE P22303 2/20 0.41
EGFR P00533 1/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL3222257 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTP53TDP1NPC1
SCHEMBL10410990 1.00 ALDH1A1 (0.62) ALDH1A1TSHRTP53TDP1NPC1
SCHEMBL31380623 0.84 TP53 (0.44) ALDH1A1TSHRTP53TDP1NPC1
SCHEMBL31380625 0.84 TP53 (0.44) ALDH1A1TSHRTP53TDP1NPC1
SCHEMBL31380608 0.84 TP53 (0.44) ALDH1A1TSHRTP53TDP1NPC1
SCHEMBL31380589 0.84 TP53 (0.44) ALDH1A1TSHRTP53TDP1NPC1
SCHEMBL20424935 0.81 NPC1 (0.49) ALDH1A1TSHRTP53TDP1NPC1
SCHEMBL29964263 0.81 NPC1 (0.49) ALDH1A1TSHRTP53TDP1NPC1
SCHEMBL30268861 0.79 TP53 (0.56) ALDH1A1TP53TDP1NPC1CASP3
SCHEMBL28235567 0.79 ALDH1A1 (0.54) ALDH1A1TSHRNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142343-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2014-05-22 US disclosed
US-20140142343-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2014-05-22 US disclosed
US-20140142343-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2014-05-22 US disclosed
US-8709994-B2 Fragrance compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2014-04-29 US disclosed
EP-2077986-B1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES BV (NL) 2013-12-04 EP disclosed
EP-2657218-A1 Novel Fragrance Compounds Givaudan Nederland Services B.V. (NL) 2013-10-30 EP disclosed
EP-2657218-A1 Novel Fragrance Compounds Givaudan Nederland Services B.V. (NL) 2013-10-30 EP disclosed
US-20100069287-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2010-03-18 US disclosed
US-20100069287-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2010-03-18 US disclosed
US-20100069287-A1 Novel Fragrance Compounds GIVAUDAN NEDERLAND SERVICES B.V. (CH) 2010-03-18 US disclosed
EP-2077986-A1 NOVEL FRAGRANCE COMPOUNDS Givaudan Nederland Services B.V. (NL) 2009-07-15 EP disclosed
WO-2008053148-A1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-08 WO disclosed
WO-2008053148-A1 NOVEL FRAGRANCE COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-08 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-20100069287-A1 Novel Fragrance Compounds C1S, C5, FADS1 ALDH1A1 1089/4885TSHR 4380/4885TP53 1490/4885

“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.