SCHEMBL7749699

SCHEMBL7749699

CC(C)C1OCC(C(=O)O)CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
PMP22 Q01453 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 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
SCHEMBL28845941 1.00 APLNR (0.34) APLNRMAPTCYP2C19POLBGABRP
Hydrochloric Acid SCHEMBL9779724 0.98 APLNR (0.33) APLNRMAPTCYP2C19POLB
SCHEMBL7581401 0.80
SCHEMBL29118311 0.80 EPHX1 (0.32)
SCHEMBL1818943 0.73 APLNR (0.39) APLNRCYP2C19GABRPGABRDGABRA1
SCHEMBL29020333 0.73 APLNR (0.39) APLNRCYP2C19GABRPGABRDGABRA1
SCHEMBL29020335 0.68 APLNR (0.34) APLNRCYP2C19GABRPGABRDGABRA1
SCHEMBL15791000 0.67 NOS3 (0.31)
SCHEMBL19979162 0.67 NOS3 (0.31)
SCHEMBL13381001 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102633767-B Preparation method of non-ionic type iodine contrast medium intermediate 2-isopropyl-5-carboxy-1, 3-dioxane WUHAN INST TECHNOLOGY 2013-10-30 CN claimed
CN-117658849-A Iobixin crystal form II and preparation method thereof 成都倍特药业股份有限公司 2024-03-08 CN disclosed
CN-116120201-A Improved method for synthesizing iobialcohol 重庆圣华曦药业股份有限公司 2023-05-16 CN disclosed
EP-3580199-B1 METHOD FOR THE ONE-POT PRODUCTION OF ORGANO-IODINATED COMPOUNDS GUERBET SA (FR) 2023-04-05 EP disclosed
CN-110267937-B Method for producing organic iodinated compound by one-pot method 法国加柏公司 2022-09-23 CN disclosed
CN-108929304-B Preparation method of trans-2-substituent-5-carboxyl-1, 3-dioxane 正大天晴药业集团股份有限公司 2022-09-20 CN disclosed
CN-109134289-B Synthetic method and application of contrast agent intermediate 成都西岭源药业有限公司 2021-06-11 CN disclosed
US-10836711-B2 Method for the one-pot production of organo-iodinated compounds GUERBET (FR) 2020-11-17 US disclosed
US-10836711-B2 Method for the one-pot production of organo-iodinated compounds GUERBET (FR) 2020-11-17 US disclosed
CN-110903275-A Process for producing iobitridol, intermediate therefor, and process for producing the same 苏州科伦药物研究有限公司 2020-03-24 CN disclosed
CN-102633767-B Preparation method of non-ionic type iodine contrast medium intermediate 2-isopropyl-5-carboxy-1, 3-dioxane WUHAN INST TECHNOLOGY 2013-10-30 CN disclosed
CN-102633767-A Preparation method of non-ionic type iodine contrast medium intermediate 2-isopropyl-5-carboxy-1, 3-dioxane WUHAN INST TECHNOLOGY 2012-08-15 CN disclosed
CN-102633767-A Preparation method of non-ionic type iodine contrast medium intermediate 2-isopropyl-5-carboxy-1, 3-dioxane WUHAN INST TECHNOLOGY 2012-08-15 CN disclosed
EP-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed
US-5618977-A Polyiodinated compounds, process of preparation and contrast agent containing them GUERBET S.A. (FR) 1997-04-08 US disclosed
US-5043152-A Radiography GUERBET S.A. (FR) 1991-08-27 US disclosed
US-4725620-A 2H-pyran-2,6-(3H)-dione derivatives with anti-allergic activity ALLERGAN, INC. (US) 1988-02-16 US disclosed
US-4521327-A STRESS RESISTANCE, PHOTOSTABILITY, ELECTRICAL RESISTANCE, LOW BIREFRINGENCE VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1985-06-04 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 (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-10836711-B2 Method for the one-pot production of organo-iodinated compounds TPO, NISCH, PPIP5K2 APLNR 3223/4885MAPT 3911/4885CYP2C19 1408/4885

“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.