SCHEMBL2166049

SCHEMBL2166049

O=C1C=C(c2ccccc2F)/C(=C\c2ccccc2F)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
IKBKB O14920 2/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAF1 P04049 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
KDR P35968 1/20 0.40
PRKAG1 P54619 1/20 0.40
MAP2K1 Q02750 1/20 0.40
PRKAA1 Q13131 1/20 0.40
MAPK14 Q16539 1/20 0.40
DYRK2 Q92630 1/20 0.40
NEK1 Q96PY6 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
IGF1R P08069 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL2166053 1.00 NPC1 (0.42) NPC1IKBKBKDM4ECYP1A2CYP2C19
SCHEMBL2166046 1.00 NPC1 (0.42) NPC1IKBKBKDM4ECYP1A2CYP2C19
SCHEMBL1471929 0.78 ALOX15 (0.41) NPC1MAPTNMUR2
SCHEMBL15323008 0.72 PTPN1 (0.43) NPC1KDM4ECYP1A2CYP2C19HDAC3
SCHEMBL18529075 0.72 NOTUM (0.37) NPC1MAPTNMUR2
SCHEMBL19462845 0.72 STK17B (0.63) MAPK1AKT1KDRPRKAG1PRKAA1
SCHEMBL15323010 0.68 BACE1 (0.46) KDM4ECYP1A2CYP2C19HDAC4HDAC2
SCHEMBL3575589 0.66 NPC1 (0.60) NPC1IKBKBRAF1RPS6KB1MAPK1
SCHEMBL14464102 0.66 NPC1 (0.60) NPC1IKBKBKDM4ERAF1RPS6KB1
SCHEMBL8106433 0.66 NPC1 (0.60) NPC1IKBKBRAF1RPS6KB1MAPK1

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
EP-2350036-B1 METHYLENE FURANONE DERIVATIVES AND USE OF SAID DERIVATIVES AS A PHOTOPROTECTING OR ANTIOXIDANT OR DEPIGMENTATION AGENT IN COSMETIC OR DERMATOLOGICAL COMPOSITIONS PIERRE FABRE DERMO COSMÉTIQUE (FR) 2015-04-15 EP disclosed
US-8563548-B2 Methylene furanone derivatives and use of said derivatives as a photoprotecting or antioxidant or depigmentation agent in cosmetic or dermatological compositions PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-10-22 US disclosed
EP-2350036-A1 METHYLENE FURANONE DERIVATIVES AND USE OF SAID DERIVATIVES AS A PHOTOPROTECTING OR ANTIOXIDANT OR DEPIGMENTATION AGENT IN COSMETIC OR DERMATOLOGICAL COMPOSITIONS Pierre Fabre Dermo-Cosmétique (FR) 2011-08-03 EP disclosed
US-20110184059-A1 METHYLENE FURANONE DERIVATIVES AND USE OF SAID DERIVATIVES AS A PHOTOPROTECTING OR ANTIOXIDANT OR DEPIGMENTATION AGENT IN COSMETIC OR DERMATOLOGICAL COMPOSITIONS PIERRE FABRE DERMO-COSMETIQUE (FR) 2011-07-28 US disclosed
WO-2010034827-A1 METHYLENE FURANONE DERIVATIVES AND USE OF SAID DERIVATIVES AS A PHOTOPROTECTING OR ANTIOXIDANT OR DEPIGMENTATION AGENT IN COSMETIC OR DERMATOLOGICAL COMPOSITIONS PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-04-01 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-20110184059-A1 METHYLENE FURANONE DERIVATIVES AND USE OF SAID DERIVATIVES AS A PHOTOPROTECTING OR ANTIOXIDANT OR DEPIGMENTATION AGENT IN COSMETIC OR DERMATOLOGICAL COMPOSITIONS NQO1, ESD, DHPS NPC1 4287/4885IKBKB 1651/4885KDM4E 243/4885

“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.