SCHEMBL911202

SCHEMBL911202

C=[C]C(C)Oc1ccc(C=C(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
MAPT P10636 11/20 0.56
LMNA P02545 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MAPK1 P28482 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
S1PR4 O95977 1/20 0.56
S1PR1 P21453 1/20 0.56
NR1H4 Q96RI1 1/20 0.53
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
HSP90AA1 P07900 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MITF O75030 1/20 0.45
HTT P42858 1/20 0.45
PLIN1 O60240 1/20 0.40

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
SCHEMBL12387047 0.85 KMT2A (0.64) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL911203 0.83 MEN1 (0.57) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL1147727 0.80 MEN1 (0.57) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL1068265 0.80 MEN1 (0.85) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL2318131 0.79 MEN1 (0.68) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3032465 0.78 NR1H4 (0.62) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL1392660 0.78 MEN1 (0.55) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL11100803 0.77 NR1H4 (0.72) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL438314 0.77 MEN1 (0.70) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL12869943 0.76 NR1H4 (0.70) MEN1KMT2AMAPTLMNANPSR1

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-9700501-B2 Use of indole compounds as a cosmetic MERCK PATENT GMBH (DE) 2017-07-11 US disclosed
US-9603784-B2 Process for treating sol-gel capsules MERCK PATENT GMBH (DE) 2017-03-28 US disclosed
US-20130156834-A1 PROCESS FOR TREATING SOL-GEL CAPSULES MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130045174-A1 USE OF INDOLE COMPOUNDS AS A COSMETIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-21 US disclosed
US-7906684-B2 Antioxidants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-15 US disclosed
US-7867993-B2 Preparation containing oxidized flavonoid derivatives MERCK PATENT GMBH (DE) 2011-01-11 US disclosed
US-20100034760-A1 Method of Increasing the Tanning Effect of Self-tanning Substances MERCK PATENT GMBH (DE) 2010-02-11 US disclosed
US-20100028278-A1 USE OF CHROMAN-4-ONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-02-04 US disclosed
US-20090246158-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 US disclosed
EP-1186288-B1 Cosmetic and dermatologic sunscreen compositions containing asymmetrically substituted triazine derivatives and organosiloxanes BEIERSDORF AG (DE) 2009-06-03 EP disclosed
US-20080319050-A1 Preparation Containing Oxidized Flavonoid Derivatives MERCK PATENT GMBH (DE) 2008-12-25 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
EP-1186288-A2 Cosmetic and dermatologic sunscreen compositions containing asymmetrically substituted triazine derivatives and organosiloxanes Beiersdorf AG (DE) 2002-03-13 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 (7 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-20090246158-A1 ANTIOXIDANTS LPO, GPX1, GPX4 MEN1 2805/4885KMT2A 2864/4885MAPT 1568/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 MEN1 2420/4885KMT2A 1522/4885MAPT 1111/4885
US-20100034760-A1 Method of Increasing the Tanning Effect of Self-tanning Substances TYR, TES, SHBG MEN1 3024/4885KMT2A 1703/4885MAPT 3028/4885
US-20130156834-A1 PROCESS FOR TREATING SOL-GEL CAPSULES SUCLG1, TYR, PGA5 MEN1 866/4885KMT2A 3032/4885MAPT 1808/4885
US-20130045174-A1 USE OF INDOLE COMPOUNDS AS A COSMETIC IDO1, TYR, IDO2 MEN1 710/4885KMT2A 215/4885MAPT 2353/4885
US-20100028278-A1 USE OF CHROMAN-4-ONE DERIVATIVES COXFA4L2, TYR, XPA MEN1 1523/4885KMT2A 3375/4885MAPT 2529/4885
US-20080319050-A1 Preparation Containing Oxidized Flavonoid Derivatives NQO1, LPO, NDUFV2 MEN1 3703/4885KMT2A 3071/4885MAPT 3078/4885

“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.