SCHEMBL8333245

SCHEMBL8333245

COc1ccc(C=C(C(=O)OC(C)C)C(=O)OC(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
CYP1A2 P05177 2/20 0.49
NPC1 O15118 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
F3 P13726 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL14097916 0.86 CES2 (0.53) CYP1A2NPC1CYP2C9CYP2C19RAB9A
SCHEMBL8734502 0.84 NR1H4 (0.53) HPGDCYP1A2NPC1CYP2C9CYP2C19
SCHEMBL77601 0.82 MAPT (0.53) HPGDALDH1A1KDM4EMAPTF3
SCHEMBL13810256 0.82 MEN1 (0.58) HPGDCYP1A2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL8737494 0.82 TAS1R3 (0.47) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL31457368 0.81 KDM4E (0.46) HPGDCYP1A2NPC1CYP2C9CYP2C19
SCHEMBL4007797 0.81 MEN1 (0.41) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8735315 0.80 MEN1 (0.48) CYP1A2NPC1CYP2C9CYP2C19RAB9A
SCHEMBL8737497 0.80 NR1H4 (0.47) TSHR
SCHEMBL21457595 0.80 ALDH1A1 (0.59) HPGDCYP1A2SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848947-B1 Compositions containing a derivative of dibenzoylmethane, a derivative of 1,3,4-triazine and an dialkly benyalmalonate OREAL (FR) 1999-08-11 EP claimed
US-5882634-A COSMETICS AND SKINS SOCIETE L'OREAL S.A. (FR) 1999-03-16 US claimed
US-5670140-A SKIN PROTECTION FOR COSMETICS FOR RADIATION RESISTANCE L'OREAL (FR) 1997-09-23 US claimed
US-5624663-A Photostable cosmetic filter composition cotaining a UV-A filter and a substituted dialkylbenzalmalonate, the use of substituted dialkylbenzalmalonates in cosmetics as broad-band solar filters and novel substituted dialkyl malonates L'OREAL (FR) 1997-04-29 US claimed
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP disclosed
US-20120128745-A1 BENZYLIDENE MALONATES BASF SE (DE) 2012-05-24 US disclosed
US-20120128745-A1 BENZYLIDENE MALONATES BASF SE (DE) 2012-05-24 US disclosed
WO-2010136360-A2 BENZYLIDENE MALONATES BASF SE (DE) 2010-12-02 WO disclosed
US-5882634-A COSMETICS AND SKINS SOCIETE L'OREAL S.A. (FR) 1999-03-16 US disclosed
US-5670140-A SKIN PROTECTION FOR COSMETICS FOR RADIATION RESISTANCE L'OREAL (FR) 1997-09-23 US disclosed
US-5624663-A Photostable cosmetic filter composition cotaining a UV-A filter and a substituted dialkylbenzalmalonate, the use of substituted dialkylbenzalmalonates in cosmetics as broad-band solar filters and novel substituted dialkyl malonates L'OREAL (FR) 1997-04-29 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 (2 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-20120128745-A1 BENZYLIDENE MALONATES TERT, REL, MGMT HPGD 1283/4885CYP1A2 871/4885NPC1 2557/4885
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 HPGD 1130/4885CYP1A2 1758/4885NPC1 716/4885

“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.