SCHEMBL6478663

SCHEMBL6478663

C=CCc1ccc(C(=O)OC)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL542210 0.88 CA1 (0.57) XDHCA12CA1CA2CA7
SCHEMBL8567407 0.86 PTPN1 (0.46) XDHCA12CA1CA2CA7
SCHEMBL15657532 0.86 CA1 (0.59) XDHCA12CA1CA2CA7
SCHEMBL9107524 0.84 KDM4E (0.49) XDHCA12CA1CA2CA7
SCHEMBL6899135 0.84 LMNA (0.44) XDHCA12CA1CA2CA7
SCHEMBL20455949 0.83 MAPT (0.53) XDHCA12CA1CA2CA7
SCHEMBL29645074 0.82 HTT (0.53) LMNAHPGDALDH1A1MEN1HTT
SCHEMBL1091841 0.82 HTT (0.53) LMNAHPGDALDH1A1MEN1HTT
SCHEMBL9907323 0.82 KDM4E (0.43) XDHCA12CA1CA2CA7
SCHEMBL3373567 0.82 CA12 (0.67) XDHCA12CA1CA2CA7

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213020-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2022-07-07 US disclosed
US-11225452-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2022-01-18 US disclosed
US-20200369592-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2020-11-26 US disclosed
US-10774027-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2020-09-15 US disclosed
EP-3209415-B1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORP (US) 2020-02-19 EP disclosed
US-20190233362-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2019-08-01 US disclosed
US-10196342-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2019-02-05 US disclosed
US-20170158602-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2017-06-08 US disclosed
US-20170158602-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2017-06-08 US disclosed
US-9593061-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2017-03-14 US disclosed
US-9593061-B2 Synthesis of intermediates for producing prostacyclin derivatives UNITED THERAPEUTICS CORPORATION (US) 2017-03-14 US disclosed
US-20160107973-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2016-04-21 US disclosed
US-20160107973-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES UNITED THERAPEUTICS CORPORATION (US) 2016-04-21 US disclosed
US-20090131688-A1 METHOD FOR THE SYNTHESIS OF 4-BENZOFURAN-CARBOXYLIC ACID ZACH SYSTEM (FR) 2009-05-21 US disclosed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US disclosed
EP-1326860-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO 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 (10 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-10774027-B2 Synthesis of intermediates for producing prostacyclin derivatives PTGIS, PTGIR, PTGES XDH 1155/4885CA12 3947/4885CA1 3256/4885
US-20170158602-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES XDH 1155/4885CA12 3947/4885CA1 3256/4885
US-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 XDH 51/4885CA12 1659/4885CA1 1790/4885
US-20090131688-A1 METHOD FOR THE SYNTHESIS OF 4-BENZOFURAN-CARBOXYLIC ACID COASY, HSD17B12, ALDH18A1 XDH 471/4885CA12 398/4885CA1 684/4885
US-11225452-B2 Synthesis of intermediates for producing prostacyclin derivatives PTGIS, PTGIR, PTGS2 XDH 1798/4885CA12 1597/4885CA1 1639/4885
US-20220213020-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES XDH 1155/4885CA12 3947/4885CA1 3256/4885
US-20190233362-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES XDH 1155/4885CA12 3947/4885CA1 3256/4885
US-20160107973-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES XDH 1155/4885CA12 3947/4885CA1 3256/4885
US-10196342-B2 Synthesis of intermediates for producing prostacyclin derivatives PTGIS, PTGIR, PTGES XDH 1155/4885CA12 3947/4885CA1 3256/4885
US-20200369592-A1 SYNTHESIS OF INTERMEDIATES FOR PRODUCING PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGES XDH 1155/4885CA12 3947/4885CA1 3256/4885

“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.