Demethyl-Cantharidin

Demethyl-Cantharidin

SCHEMBL3187662

O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 1.00
LMNA P02545 4/20 1.00
PPM1B O75688 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
KDM4E B2RXH2 3/20 1.00
GMNN O75496 3/20 1.00
TFPI2 P48307 3/20 1.00
PMP22 Q01453 3/20 1.00
NFKB1 P19838 3/20 1.00
THPO P40225 3/20 1.00
RAB9A P51151 3/20 1.00
PPP1CC P36873 2/20 1.00
PPP5C P53041 2/20 1.00
PPP1CA P62136 2/20 1.00
TDP1 Q9NUW8 1/20 1.00
CYP2D6 P10635 1/20 1.00
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Demethyl-Cantharidin SCHEMBL177729 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Norcantharidin SCHEMBL29380910 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL9675442 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL3195020 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL19318920 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL6432892 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL9906842 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
SCHEMBL16938608 0.84 KDM4E (0.71) TP53LMNAPPM1BSMN1; SMN2KDM4E
SCHEMBL17695028 0.84 KDM4E (0.71) TP53LMNAPPM1BSMN1; SMN2KDM4E
SCHEMBL12599313 0.74 KDM4E (0.57) TP53LMNAPPM1BSMN1; SMN2KDM4E

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791500-A 7-Oxabicyclo [2.2.1] heptane-2, 3-dicarboxylic acid derivative and preparation method and application thereof 中国药科大学 2024-10-18 CN disclosed
CN-113956236-B Phthalimide compound and application thereof 中国医学科学院药物研究所 2023-01-06 CN disclosed
CN-113929662-B Succinimide or maleimide compound and use thereof 中国医学科学院药物研究所 2023-01-06 CN disclosed
CN-109867661-B Amide compounds for regulating WNT signal pathway and application thereof 中国医学科学院药物研究所 2022-07-19 CN disclosed
CN-113956236-A Phthalimide compound and application thereof 中国医学科学院药物研究所 2022-01-21 CN disclosed
CN-113929662-A Succinimide or maleimide compound and use thereof 中国医学科学院药物研究所 2022-01-14 CN disclosed
US-10399993-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2019-09-03 US disclosed
US-10023587-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2018-07-17 US disclosed
US-10023587-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2018-07-17 US disclosed
US-9994584-B2 Process of synthesizing 3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1] heptane-2-carboxylic acid LIXTE BIOTECHNOLOGY, INC. (US) 2018-06-12 US disclosed
WO-2002000617-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR IDENTIFICATION, DESIGN AND USE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 WO disclosed
US-5618946-A 7-oxabicycloheptane carboxylic acid prostaglandin analog intermediates useful in the preparation of anti-thrombotic and anti-vasospastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
US-5539130-A CHEMICAL CONDENSATION FOLLOWED BY CATALYTIC HYDROGENATION BRISTOL-MYERS SQUIBB COMPANY (US) 1996-07-23 US disclosed
US-5512690-A 7-oxabicycloheptane carboxylic acid prostaglandin analog intermediates useful in the preparation of anti-thrombotic and anti-basopastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-30 US disclosed
US-5508445-A FORMING A CHEMICAL INTERMEDIATE ALDEHYDE, STARTING AN AMINE AND AN ANHYDRIDE TO FORM AN IMIDE, THEN GRIGNARD REACTION, REACTING WITH A REDUCING AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
US-5436347-A Benzaldehyde intermediates useful in the preparation of 7-oxabicycloheptane carboxylic acid prostaglandin analog anti-thrombotic and anti-vasospastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed
US-5399725-A Forming alcohol-amides by reacting a 7-oxabicycloheptane imide with a 2-/2-metallated phenyl/-1,3-dioxolane /metal is lithium or magnesium bromide/ and reducing the product BRISTOL-MYERS SQUIBB CO. (US) 1995-03-21 US disclosed
EP-0626384-A1 7-Oxabicycloheptane carboxylic acid prostaglandin analog intermediates useful in the preparation of antithrombotic and anti-vasospastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-30 EP disclosed
US-5332840-A Acylation an anhydride and reaction with oxazolidine to form benzaldehyde BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US disclosed
US-4524151-A 7-Oxabicycloheptane thio ethers useful as cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1985-06-18 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-10399993-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use HCCS, OXA1L, OTC TP53 75/4885LMNA 2628/4885PPM1B 3573/4885
US-10023587-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use HCCS, OXA1L, OTC TP53 75/4885LMNA 2628/4885PPM1B 3573/4885

“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.