SCHEMBL14764654

SCHEMBL14764654

CCC=CCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
G6PD P11413 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TLR9 Q9NR96 1/20 0.39
STAT3 P40763 1/20 0.39
ALDH1A1 P00352 4/20 0.39
EDNRA P25101 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CTSK P43235 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP24A1 Q07973 1/20 0.37

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
SCHEMBL14764653 1.00 CA12 (0.40) CA12CA1CA9G6PDKEAP1
SCHEMBL15912664 1.00 CA12 (0.40) CA12CA1CA9G6PDKEAP1
SCHEMBL1682134 0.97 FAAH (0.40) CA12CA1CA9G6PDKEAP1
SCHEMBL1604291 0.97 FAAH (0.40) CA12CA1CA9G6PDKEAP1
SCHEMBL1604293 0.97 FAAH (0.40) CA12CA1CA9G6PDKEAP1
SCHEMBL30517275 0.93 G6PD (0.44) CA12CA1CA9G6PDKEAP1
SCHEMBL15237138 0.91 CYP24A1 (0.40) CA12CA1CA9G6PDKEAP1
SCHEMBL7268342 0.91 CYP24A1 (0.40) CA12CA1CA9G6PDKEAP1
SCHEMBL7268339 0.90 CA12 (0.40) CA12CA1CA9G6PDKEAP1
SCHEMBL7268345 0.90 CA12 (0.40) CA12CA1CA9G6PDKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 US disclosed
US-12473249-B2 Aromatic compounds and pharmaceutical uses thereof BASF AS (NO) 2025-11-18 US disclosed
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 US disclosed
US-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-12-09 US disclosed
EP-3864001-A1 ROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF BASF AS (NO) 2021-08-18 EP disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 US disclosed
WO-2013036866-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2013-03-14 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 (8 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-12473249-B2 Aromatic compounds and pharmaceutical uses thereof GLS2, FFAR3, SLC10A1 CA12 1054/4885CA1 1272/4885CA9 1011/4885
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 CA12 132/4885CA1 2124/4885CA9 595/4885
US-20210380521-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF GLS2, FFAR3, SLC10A1 CA12 1054/4885CA1 1272/4885CA9 1011/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR CA12 2304/4885CA1 4584/4885CA9 3162/4885

“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.