Neorautenol

Neorautenol

SCHEMBL31060647

CC1(C)C=Cc2cc3c(cc2O1)OC[C@H]1c2ccc(O)cc2O[C@@H]31

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 1.00
▸ MGAM O43451 1/20 0.64
▸ CYP3A4 P08684 2/20 0.55
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ NPC1 O15118 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ TYR P14679 1/20 0.41

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
Isoneorautenol SCHEMBL29887543 0.96 PTPN1 (0.92) PTPN1MGAMCYP3A4MAOAMAOB
Shinpterocarpin SCHEMBL30001940 0.80 MGAM (0.77) PTPN1MGAMCYP3A4MAOAMAOB
Shinpterocarpin SCHEMBL29377666 0.80 MGAM (0.77) PTPN1MGAMCYP3A4MAOAMAOB
Phaseolin SCHEMBL33736 0.78 MGAM (1.00) PTPN1MGAMCYP3A4MAOAMAOB
Phaseolin SCHEMBL29351585 0.78 MGAM (1.00) PTPN1MGAMCYP3A4MAOAMAOB
Phaseolin SCHEMBL29929606 0.78 MGAM (1.00) PTPN1MGAMCYP3A4MAOAMAOB
Phaseolin SCHEMBL33735 0.78 MGAM (1.00) PTPN1MGAMCYP3A4MAOAMAOB
Demethylmedicarpin SCHEMBL31663447 0.78 MAOA (0.78) PTPN1MGAMCYP3A4MAOAMAOB
Demethylmedicarpin SCHEMBL29843376 0.78 MAOA (0.78) PTPN1MGAMCYP3A4MAOAMAOB
Medicarpin SCHEMBL2812444 0.78 MAOA (0.78) PTPN1MGAMCYP3A4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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