SCHEMBL10028473

SCHEMBL10028473

C=C1C(=O)OC2CC(C)C(CCC(C)O)=CCC12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.51
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPC1 O15118 2/20 0.35
▸ XBP1 P17861 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MDM2 Q00987 2/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ TERT O14746 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ TAS2R46 P59540 1/20 0.30

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
Tomentosin SCHEMBL29422245 0.82 KDR (0.58) KDRMAPTRAB9APKMRECQL
SCHEMBL29367155 0.68 KDR (0.52) KDRMAPTRAB9APKMRECQL
SCHEMBL30366249 0.62 NLRP3 (0.41) MAPTRAB9APKMRECQLPTGS2
Carabrol SCHEMBL30932148 0.62 PTGS2 (0.39) MAPTRAB9APKMRECQLNPC1
SCHEMBL8629540 0.59 MAPT (0.43) KDRMAPTRAB9APKMRECQL
SCHEMBL9242953 0.59 MAPT (0.43) KDRMAPTRAB9APKMRECQL
SCHEMBL8631899 0.59 MAPT (0.43) KDRMAPTRAB9APKMRECQL
SCHEMBL29410309 0.59 MAPT (0.43) KDRMAPTRAB9APKMRECQL
SCHEMBL29665914 0.57 TAS2R46 (0.56) KDRMAPTRAB9APKMRECQL
SCHEMBL31238361 0.55 MAPT (0.51) KDRMAPTRAB9APKMRECQL

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
US-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-16 — — US disclosed
US-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-16 — — US disclosed
WO-2010075282-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY UNIVERSITY OF WASHINGTON (US) 2010-07-01 — — 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 (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-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A KDR 4401/4885MAPT 1720/4885RAB9A 1578/4885

“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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