SCHEMBL6598527

SCHEMBL6598527

CCOCCOCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 3/20 0.41
STAT3 P40763 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.39
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
VDR P11473 1/20 0.38

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
SCHEMBL28446183 1.00 ALDH1A1 (0.47) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL30918124 1.00 ALDH1A1 (0.47) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL1056101 1.00 ALDH1A1 (0.47) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL244712 0.98 CA12 (0.46) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL28536775 0.94 ALDH1A1 (0.44) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL881292 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL4379133 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL18613994 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL18644929 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9KDM4E
SCHEMBL922407 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584251-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-06 US disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP disclosed
EP-3283642-B1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RES CENTER HOLDING B V (NL) 2023-10-11 EP disclosed
US-20230098686-A1 NERVE SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION UNIV OREGON HEALTH & SCIENCE (US) 2023-03-30 US disclosed
US-20230098438-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-03-30 US disclosed
EP-3519386-B1 NOVEL PI-CONJUGATED MATERIALS, METHODS FOR PREPARING SAME AND USES THEREOF AS SEMICONDUCTORS DEGBIA MARTIAL (FR) 2023-03-29 EP disclosed
EP-0349748-A1 Substituted N-aryl-nitrogen containing heterocycles BAYER AG (DE) 1990-01-10 EP disclosed
US-4655783-A COPPER COMPLEXES CIBA-GEIGY CORPORATION (US) 1987-04-07 US disclosed
US-4388104-A 3-Phenylmethoxytetrahydropyran herbicides SHELL OIL COMPANY (US) 1983-06-14 US disclosed
US-4371533-A ANTITUMOR, ANTIPROTOZOA AND ANTIFUNGAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-02-01 US disclosed
EP-0049528-A1 4,5-Deoxymaytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-04-14 EP disclosed
US-4309428-A Maytansinoids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-01-05 US disclosed
EP-0025496-A1 Maytansinoids, their production and therapeutic compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP disclosed
US-4111937-A IODINATED ANILIC ACIDS STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4031088-A Iodinated anilic acids STERLING DRUG INC. (US) 1977-06-21 US disclosed
US-4018832-A Novel complexing agents derived from cyclotriveratrylene EASTMAN KODAK COMPANY (US) 1977-04-19 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 (3 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-20230098438-A1 OXAZINE-BASED WATER-SOLUBLE FLUOROPHORE COMPOUNDS FOR IN VIVO NERVE IMAGING GAP43, NTRK1, MAG ALDH1A1 861/4885CA12 2344/4885CA1 1882/4885
US-20230098686-A1 NERVE SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 ALDH1A1 556/4885CA12 2687/4885CA1 3277/4885
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK ALDH1A1 2286/4885CA12 4232/4885CA1 4584/4885

“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.