SCHEMBL4185933

SCHEMBL4185933

OC[C@@H](O)CCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
TSHR P16473 2/20 0.50
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42
NAAA Q02083 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL9068544 1.00 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL4185937 1.00 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL25435936 0.96 CA1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL11315619 0.89 CA1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL11302178 0.89 CA1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL15519785 0.88 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL11177231 0.88 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL9592045 0.87 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL9188557 0.85 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL9187215 0.85 CA1 (0.66) CA1CA2CA7CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223765-A1 1,3-FATTY DIOL COMPOUNDS AND DERIVATIVES THEREOF Genomatica, Inc. (US) 2023-08-09 EP disclosed
EP-3795576-B1 1,3-FATTY DIOL COMPOUNDS AND GLYCOSYLATED DERIVATIVES THEREOF GENOMATICA INC (US) 2023-06-07 EP disclosed
EP-3795576-B1 1,3-FATTY DIOL COMPOUNDS AND GLYCOSYLATED DERIVATIVES THEREOF GENOMATICA INC (US) 2023-06-07 EP disclosed
US-11648315-B2 Silvestrol antibody-drug conjugates and methods of use GENENTECH, INC. (US) 2023-05-16 US disclosed
US-11648315-B2 Silvestrol antibody-drug conjugates and methods of use GENENTECH, INC. (US) 2023-05-16 US disclosed
CN-109476648-B Sevelamer antibody-drug conjugates and methods of use 豪夫迈·罗氏有限公司 2022-09-13 CN disclosed
US-20220098133-A1 1,3-Fatty Diol Compounds And Derivatives Thereof AGAIN BIO APS (DK) 2022-03-31 US disclosed
US-20220098133-A1 1,3-Fatty Diol Compounds And Derivatives Thereof AGAIN BIO APS (DK) 2022-03-31 US disclosed
US-11168046-B2 1,3-fatty diol compounds and derivatives thereof GENOMATICA, INC. (US) 2021-11-09 US disclosed
US-11168046-B2 1,3-fatty diol compounds and derivatives thereof GENOMATICA, INC. (US) 2021-11-09 US disclosed
EP-1061062-B1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVES DAISO CO LTD (JP) 2009-02-18 EP disclosed
US-20040024261-A1 Process for preparing butanetriol derivative DAISO CO., LTD. (JP) 2004-02-05 US disclosed
US-6620977-B1 Reacting 1,2,4-butanetriol in multiple steps with specified reagents using selective protection and deprotection of hydroxyl groups DAISO CO., LTD. (JP) 2003-09-16 US disclosed
EP-1061062-A1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVE DAISO CO., LTD. (JP) 2000-12-20 EP disclosed
US-5696263-A Antiviral acyclic phosphonomethoxyalkylsubstituted alkenyl and alkynyl purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-12-09 US disclosed
EP-0630381-B1 ANTIVIRAL ACYCLIC PHOSPHONOMETHOXYALKYL SUBSTITUTED, ALKENYL AND ALKYNYL PURINE AND PYRIMIDINE DERIVATIVES ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1997-04-09 EP disclosed
US-5530143-A REDUCTION OF (3S)-3-HYDROXYOCTANEDIOIC DIESTER WITH COMPLEX HYDRIDE BASF AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0487986-B1 Process for the preparation of esters of (6s)-6,8-dihydroxyoctanoic acid BASF AG (DE) 1995-06-21 EP disclosed
WO-1993007157-A1 ANTIVIRAL ACYCLIC PHOSPHONOMETHOXYALKYL SUBSTITUTED, ALKENYL AND ALKYNYL PURINE AND PYRIMIDINE DERIVATIVES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OFTHE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1993-04-15 WO disclosed
EP-0487986-A2 Process for the preparation of esters of (6s)-6,8-dihydroxyoctanoic acid BASF Aktiengesellschaft (DE) 1992-06-03 EP 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 (4 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-11648315-B2 Silvestrol antibody-drug conjugates and methods of use SHBG, EPCAM, ITGAV CA1 1480/4885CA2 3109/4885CA7 2226/4885
US-11168046-B2 1,3-fatty diol compounds and derivatives thereof DGAT1, DGAT2, DSG1 CA1 4200/4885CA2 4285/4885CA7 3666/4885
US-20220098133-A1 1,3-Fatty Diol Compounds And Derivatives Thereof DGAT1, DGAT2, DSG1 CA1 4200/4885CA2 4285/4885CA7 3666/4885
US-20040024261-A1 Process for preparing butanetriol derivative CYP4B1, CYP11B2, CYP11B1 CA1 3367/4885CA2 4174/4885CA7 1754/4885

“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.