SCHEMBL235805

SCHEMBL235805

CC1(C)OB(c2ccc(C=O)cc2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.53
LIPG Q9Y5X9 12/20 0.53
P4HB P07237 1/20 0.53
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CA12 O43570 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
F11 P03951 2/20 0.44
CYP2A6 P11509 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 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
SCHEMBL3786603 0.94 LIPG (0.62) LPLLIPGP4HBCA1CA2
SCHEMBL3789949 0.90 P4HB (0.46) LPLLIPGP4HBCA1CA2
SCHEMBL15583750 0.90 LPL (0.46) LPLLIPGP4HBCA1CA2
SCHEMBL23219387 0.90 LPL (0.46) LPLLIPGP4HBCA1CA2
SCHEMBL20639937 0.86 ALDH1A1 (0.55) LPLLIPGP4HBCA1CA2
SCHEMBL3778232 0.84 LIPG (0.51) LPLLIPGP4HBCA1CA2
SCHEMBL10281612 0.83 P4HB (0.59) LPLLIPGP4HBCA1CA2
SCHEMBL15132543 0.83 P4HB (0.59) LPLLIPGP4HBCA1CA2
SCHEMBL20539098 0.83 LPL (0.49) LPLLIPGP4HBCA1CA2
SCHEMBL4940298 0.83 LIPG (0.49) LPLLIPGP4HBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025056370-A1 NON-ENZYMATIC ELECTROCHEMICAL SENSOR AND COMPONENTS DANMARKS TEKNISKE UNIVERSITET (DK) 2025-03-20 WO claimed
CN-116284072-B Fluorescent probe for detecting sodium bisulphite and hydrogen peroxide through double channels, and preparation method and application thereof 新乡医学院 2025-02-25 CN claimed
CN-117924335-A ONOO with endoplasmic reticulum targeting-Fluorescent probe and preparation method and application thereof 四川大学华西医院 2024-04-26 CN claimed
CN-117800996-A Double-response type logic gate fluorescent probe and preparation method and application thereof 江苏科技大学 2024-04-02 CN claimed
CN-117753385-A Covalent organic framework material machine for xenon and nitrogen separation and preparation method and application thereof 西安交通大学 2024-03-26 CN claimed
CN-114085241-B Probe for detecting and identifying tea polyphenol and preparation method and application thereof 浙江工业大学 2023-06-27 CN claimed
CN-116284072-A Fluorescent probe for detecting sodium bisulphite and hydrogen peroxide through double channels, and preparation method and application thereof 新乡医学院 2023-06-23 CN claimed
CN-116239622-A ER beta targeting hydrogen peroxide responsive near infrared fluorescent probe and preparation method and application thereof 武汉大学 2023-06-09 CN claimed
CN-112142766-B Benzoindole hydrogen peroxide fluorescent probe and preparation method thereof 南通大学 2022-12-06 CN claimed
CN-115124549-A Benzothienobenzothiophene organic magnetic compound, preparation method and application thereof 郑州大学 2022-09-30 CN claimed
CN-104262373-B A kind of targeting detection the fluorescence probe of inhibition cancer cell, preparation method and application 北京理工大学 2016-08-17 CN claimed
US-9242925-B2 Versatile and stereospecific synthesis of γ,δ-unsaturated amino acids by Wittig reaction CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-01-26 US claimed
EP-2867237-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC Discovery GmbH (DE) 2015-05-06 EP claimed
CN-104262373-A Fluorescent probe for targeting detection and cancer cell inhibition and its preparation method and use BEIJING INST TECHNOLOGY 2015-01-07 CN claimed
US-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-12-11 US claimed
EP-2751124-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION Centre National de la Recherche Scientifique (CNRS) (FR) 2014-07-09 EP claimed
WO-2014001464-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2014-01-03 WO claimed
WO-2013030193-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-03-07 WO claimed
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 US claimed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed

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-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process PPOX, DAO, DDO LPL 3934/4885LIPG 3819/4885P4HB 643/4885
US-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION BCAT1, BCAT2, ALAD LPL 2149/4885LIPG 1425/4885P4HB 1592/4885

“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.