SCHEMBL4588423

SCHEMBL4588423

COc1ccc(C(OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ KIF11 P52732 6/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ SLC6A1 P30531 2/20 0.43
▸ SLC6A11 P48066 1/20 0.43

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
SCHEMBL1096837 0.87 KCNN4 (0.47) CES2CES1KIF11ALDH1A1GAA
SCHEMBL13427144 0.87 SMN1; SMN2 (0.43) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL27722753 0.85 KCNN4 (0.45) CES2CES1KIF11ALDH1A1GAA
Phosphine SCHEMBL10642479 0.85 KCNN4 (0.45) CES2CES1KIF11ALDH1A1GAA
SCHEMBL10606703 0.84 MAPT (0.46) CES2CES1KIF11NPC1RAB9A
SCHEMBL829929 0.82 ESR1 (0.52) CES2CES1KIF11ALDH1A1KMT2A
SCHEMBL21132837 0.82 KIF11 (0.45) CES2CES1KIF11NPC1RAB9A
SCHEMBL10695316 0.81 KIF11 (0.44) CES2CES1KIF11NPC1RAB9A
SCHEMBL3024596 0.81 KIF11 (0.44) CES2CES1KIF11NPC1RAB9A
Acetic Acid SCHEMBL28848928 0.80 KMT2A (0.44) CES1CA2ALDH1A1KDM4EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261263-A1 METHODS OF TREATING NEUROPSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2022-12-15 — — WO claimed
EP-4720039-A2 FORMULATIONS CONTAINING TRYPTAMINE DERIVATIVES AND USES THEREOF Psilera Inc. (US) 2026-04-08 — — EP disclosed
EP-4618980-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES Freedom Biosciences, Inc. (US) 2025-09-24 — — EP disclosed
EP-4615444-A1 TRYPTAMINE FORMULATIONS AND USES THEREOF Natural Medtech Pty Ltd (AU) 2025-09-17 — — EP disclosed
WO-2024243488-A2 FORMULATIONS CONTAINING TRYPTAMINE DERIVATIVES AND USES THEREOF PSILERA INC. (US) 2024-11-28 — — WO disclosed
WO-2024107445-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES FREEDOM BIOSCIENCES, INC. (US) 2024-05-23 — — WO disclosed
WO-2024098098-A1 TRYPTAMINE FORMULATIONS AND USES THEREOF Natural MedTech Pty Ltd (AU) 2024-05-16 — — WO disclosed
EP-4017859-A1 ALKYL QUARTERNARY AMMONIUM TRYPTAMINES AND THEIR THERAPEUTIC USES Caamtech, LLC (US) 2022-06-29 — — EP disclosed
US-20080039620-A1 3'-End Nucleoside Unit Comprising Phosphoramidite JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-02-14 — — US disclosed
EP-1719778-A1 3'-TERMINAL NUCLEOSIDE UNIT CONTAINING PHOSPHORAMIDITE Japan Science and Technology Agency (JP) 2006-11-08 — — 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-20080039620-A1 3'-End Nucleoside Unit Comprising Phosphoramidite POLR2H, POLN, RNGTT CES2 3844/4885CES1 3261/4885KIF11 3439/4885

“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.

Send feedback