SCHEMBL6644243

SCHEMBL6644243

O=C(OCCc1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
ALDH1A1 P00352 5/20 0.55
HCAR2 Q8TDS4 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
AKR1B10 O60218 2/20 0.51
AKR1B1 P15121 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL2537713 1.00 ESR1 (0.57) ESR1ESR2ALDH1A1HCAR2TDP1
SCHEMBL983427 0.92 HCAR2 (0.61) ESR1ESR2ALDH1A1HCAR2TDP1
SCHEMBL6646208 0.90 ALDH1A1 (0.50) ESR1ESR2ALDH1A1HCAR2TDP1
SCHEMBL23034612 0.90 ESR1 (0.49) ESR1ESR2ALDH1A1HCAR2TDP1
SCHEMBL6640789 0.89 LMNA (0.64) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL37382 0.88 ALDH1A1 (0.68) ALDH1A1HCAR2TDP1L3MBTL1MAPK1
Ammonia Solution, Strong SCHEMBL9998884 0.86 ALDH1A1 (0.65) ALDH1A1HCAR2TDP1L3MBTL1MAPK1
Bicarbonate SCHEMBL29183459 0.86 ALDH1A1 (0.65) ALDH1A1HCAR2TDP1L3MBTL1MAPK1
Water SCHEMBL8217838 0.86 ALDH1A1 (0.65) ALDH1A1HCAR2TDP1L3MBTL1MAPK1
SCHEMBL6949170 0.85 ALDH1A1 (0.55) ALDH1A1HCAR2TDP1L3MBTL1MAPK1

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-0816322-B1 Fragrance precursors GIVAUDAN SA (CH) 2003-03-26 EP claimed
US-6306818-B1 ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-10-23 US claimed
EP-0816322-A1 Fragrance precursors GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP claimed
US-20230337534-A1 NITROGEN-CONTAINING COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-19 US disclosed
CN-113444526-A Inhibitor for generation of rancidity in food-derived kitchen waste, composition for deodorizing kitchen waste, and attraction-preventing agent 大日本除虫菊株式会社 2021-09-28 CN disclosed
EP-1154980-B1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES GOEDECKE GMBH (DE) 2004-05-26 EP disclosed
US-6740768-B1 REACTING ALKYL OR ARYL ALCOHOL AND HALIDE WITH CARBON DIOXIDE AND CESIUM CARBONATE AT ROOM TEMPERATURE IN DIPOLAR APROTIC SOLVENT GOEDECKE GMBH (DE) 2004-05-25 US disclosed
EP-0816322-B1 Fragrance precursors GIVAUDAN SA (CH) 2003-03-26 EP disclosed
EP-1154980-A1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES GÖDECKE GMBH (DE) 2001-11-21 EP disclosed
US-6306818-B1 ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-10-23 US disclosed
WO-2000047544-A1 METHOD FOR PRODUCING SYMMETRICAL AND ASYMMETRICAL CARBONATES Gödecke GmbH (DE) 2000-08-17 WO disclosed
EP-0816322-A1 Fragrance precursors GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 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 (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-20230337534-A1 NITROGEN-CONTAINING COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF NUDC, SLC29A2, SLC6A19 ESR1 284/4885ESR2 1016/4885ALDH1A1 3779/4885

“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.