SCHEMBL668441

SCHEMBL668441

C=CC(=O)Cc1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.61
▸ HSPA5 P11021 1/20 0.46
▸ TSHR P16473 2/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ IDO1 P14902 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38

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
SCHEMBL14889172 0.82 AKT1 (0.43) AKR1B1TSHRAKT1CYP2D6
SCHEMBL3996987 0.82 AKR1B1 (0.63) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL9308692 0.81 TAAR1 (0.47) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL15946705 0.78 ALDH1A1 (0.41) AKR1B1TSHRAKT1
SCHEMBL705718 0.78 CTBP2 (0.50) AKT1TAAR1
SCHEMBL6922195 0.77 AKR1B1 (0.57) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL28424162 0.77 AKT1 (0.39) AKR1B1TSHRAKT1HIF1A
SCHEMBL1737314 0.76 AKR1B1 (0.74) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL30451705 0.76 AKR1B1 (0.74) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL72309 0.76 AKR1B1 (1.00) AKR1B1HSPA5TSHRCYP2D6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230721-B2 Production of a flavour compound in a host cell AXXENCE AROMATIC GMBH (DE) 2022-01-25 — — US disclosed
US-20200392544-A1 Production of a flavour compound in a host cell AXXENCE HOLDING B.V. (NL) 2020-12-17 — — US disclosed
EP-3714056-A1 PRODUCTION OF A FLAVOUR COMPOUND IN A HOST CELL Axxence Holding B.V. (NL) 2020-09-30 — — EP disclosed
CN-111566217-A Production of flavor compounds in host cells 艾克森斯控股有限公司 2020-08-21 — — CN disclosed
CN-107056687-B Pyridine group-containing 1, 4-pentadiene-3-ketoxime ester compound, preparation method and application 贵州大学 2020-06-30 — — CN disclosed
EP-3564204-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS The University of Tokyo (JP) 2019-11-06 — — EP disclosed
EP-3045445-B1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS UNIV TOKYO (JP) 2019-08-07 — — EP disclosed
EP-2606021-B1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS UNIV TOKYO (JP) 2019-07-31 — — EP disclosed
CN-107056687-A The ketoxime ester compound of 1,4 pentadiene 3, Preparation method and use containing pyridine groups 贵州大学 2017-08-18 — — CN disclosed
EP-3045445-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS THE UNIVERSITY OF TOKYO (JP) 2016-07-20 — — EP disclosed
US-9359279-B2 Treatment of cancer, inflammatory disease, and autoimmune disease ALLIANZ PHARMASCIENCE LTD. (TW) 2016-06-07 — — US disclosed
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE ALLIANZ PHARMASCIENCE LTD. (TW) 2014-12-18 — — US disclosed
US-8822732-B2 1,5-diphenyl-penta-1,4-dien-3-one compounds ANDROSCIENCE CORPORATION (US) 2014-09-02 — — US disclosed
US-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS ALLIANZ PHARMASCIENCE LTD. (TW) 2012-02-23 — — 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-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS PDCD5, IL5, MALT1 AKR1B1 763/4885HSPA5 3244/4885TSHR 3239/4885
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE PHOSPHO1, SELENOI, CD2 AKR1B1 2836/4885HSPA5 3313/4885TSHR 2266/4885

“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.

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