SCHEMBL510962

SCHEMBL510962

CCOC(=O)c1ccc(CP(=O)(OCC)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA12 O43570 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 4/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL22642273 0.89 MEN1 (0.46) MEN1KMT2ACA1CA2CA12
SCHEMBL9079587 0.87 MEN1 (0.56) MEN1KMT2ACA1CA2CA12
SCHEMBL73418 0.87 LOXL2 (0.53) MEN1KMT2ACA1CA2CA12
SCHEMBL18239583 0.87 CA12 (0.54) MEN1KMT2ACA1CA2CA12
SCHEMBL20215649 0.87 MAPT (0.44) MEN1KMT2ACA1CA2CA12
SCHEMBL21635601 0.84 ALDH1A1 (0.58) ESR1LMNACYP1A2CYP3A4SMN1; SMN2
SCHEMBL4668174 0.84 CA12 (0.56) MEN1KMT2ACA1CA2CA12
SCHEMBL5477407 0.84 CA12 (0.50) MEN1KMT2ACA1CA2CA12
SCHEMBL454324 0.83 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1987238 0.83 KMT2A (0.50) KMT2ALMNAMAOASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236102-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY, INC. (US) 2022-02-01 US disclosed
EP-3736275-A1 OXABICYCLOHEPTANE PRODRUGS FOR USE IN TREATING CANCER Lixte Biotechnology, Inc. (US) 2020-11-11 EP disclosed
WO-2019216810-A1 NEW ANTIFUNGAL COMPOUNDS URBAN CONSTANTIN (SE) 2019-11-14 WO disclosed
WO-2019216810-A1 NEW ANTIFUNGAL COMPOUNDS URBAN CONSTANTIN (SE) 2019-11-14 WO disclosed
US-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS LIXTE BIOTECHNOLOGY, INC. (US) 2016-11-17 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
US-8158657-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-4918176-A SYSTEMIC AND TOPICAL TREATMENT OF DERMATOLOGIC DISORDERS SOCIETE ANONYME DITE: L'OREAL (FR) 1990-04-17 US disclosed
EP-0350846-A2 Condensed heterocyclic compounds and their use in therapy F. HOFFMANN-LA ROCHE AG (CH) 1990-01-17 EP disclosed
US-4876381-A Naphthalene derivatives possessing a retinoid-type action, processes for their preparation, and medicinal and cosmetic compositions containing these derivatives L'OREAL (FR) 1989-10-24 US disclosed
US-4788213-A TREATING ACNE AND PSORIASIS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4783549-A Benzonorbornene derivatives, processes for their preparation and medicinal and cosmetic compositions containing them L'OREAL (FR) 1988-11-08 US disclosed
US-4775663-A SKIN, EYE DISORDERS; ATROPHY, CARCINOMAS FROM SUNLIGHT L'OREAL (FR) 1988-10-04 US disclosed
US-4766235-A SKIN DISORDERS SOCIETE ANONYME DITE: L'OREAL (FR) 1988-08-23 US disclosed
US-4678793-A ACNE, PSORIASIS, ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1987-07-07 US disclosed
US-4439614-A INHIBITING TUMOR PRODUCTION IN SKIN SRI INTERNATIONAL (US) 1984-03-27 US disclosed
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 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-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS UGT2B7, UGT1A6, UGT1A1 MEN1 2175/4885KMT2A 2426/4885CA1 1325/4885
US-11236102-B2 Oxabicycloheptane prodrugs UGT2B7, UGT1A6, UGT1A1 MEN1 2175/4885KMT2A 2426/4885CA1 1325/4885

“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.