SCHEMBL12696325

SCHEMBL12696325

CC(C)c1ccc(OCC=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RAB9A P51151 5/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 4/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
FKBP1A P62942 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2726596 0.82 CA12 (0.42) RAB9AKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9663328 0.82 KMT2A (0.45) TYRRXRARXRBRAB9AKMT2A
SCHEMBL19043466 0.81 KMT2A (0.49) TYRRXRARXRBRAB9AKMT2A
SCHEMBL14275899 0.80 CYP2D6 (0.51) RXRARXRBRAB9AKMT2AMEN1
SCHEMBL10714219 0.79 MEN1 (0.51) TYRRXRARXRBRAB9AKMT2A
SCHEMBL5255909 0.78 MEN1 (0.50) TYRRXRARXRBRAB9AKMT2A
SCHEMBL10714708 0.78 KMT2A (0.42) TYRRXRARXRBRAB9AKMT2A
SCHEMBL20442679 0.77 NQO1 (0.64) RAB9AKMT2AMEN1NPC1KDM4E
SCHEMBL230017 0.77 DRD2 (0.48) KDM4EL3MBTL1
SCHEMBL794717 0.77 DRD4 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594626-B1 Use of oxyacetaldehyde as lily of the valley fragrance SYMRISE AG (DE) 2014-06-25 EP claimed
EP-2594626-A1 Use of oxyacetaldehyde as lily of the valley fragrance Symrise AG (DE) 2013-05-22 EP claimed
EP-2968347-B1 MODULATORS OF THE EIF2ALPHA PATHWAY UNIV CALIFORNIA (US) 2023-08-02 EP disclosed
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2021-05-13 US disclosed
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 US disclosed
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-06-07 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP disclosed
US-8871976-B2 Chalcone structure fluorescence dye for embryonic stem cell probe NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-10-28 US disclosed
EP-2594626-B1 Use of oxyacetaldehyde as lily of the valley fragrance SYMRISE AG (DE) 2014-06-25 EP disclosed
EP-2594626-B1 Use of oxyacetaldehyde as lily of the valley fragrance SYMRISE AG (DE) 2014-06-25 EP disclosed
US-20130224790-A1 Chalcone Structure Fluorescence Dye For Embryonic Stem Cell Probe AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-08-29 US disclosed
EP-2594626-A1 Use of oxyacetaldehyde as lily of the valley fragrance Symrise AG (DE) 2013-05-22 EP disclosed
EP-2594626-A1 Use of oxyacetaldehyde as lily of the valley fragrance Symrise AG (DE) 2013-05-22 EP disclosed
WO-2012129564-A2 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-09-27 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 (3 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-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL TYR 4421/4885RXRA 1430/4885RXRB 1265/4885
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL TYR 4421/4885RXRA 1430/4885RXRB 1265/4885
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL TYR 4421/4885RXRA 1430/4885RXRB 1265/4885

“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.