SCHEMBL4061116

SCHEMBL4061116

c1ccc(Pc2ccccc2-c2ccccc2Pc2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GLA P06280 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 1/20 0.30
CDC25B P30305 1/20 0.30
KMT2A Q03164 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
SCHEMBL3665375 0.87 ALDH1A1 (0.41) TDP1
SCHEMBL2556230 0.87 HPGD (0.46) CA12CA1CA2GLACA3
SCHEMBL288549 0.85 CA1 (0.37) CA12CA1CA2GLACA3
SCHEMBL3670294 0.85 NCOA1 (0.34)
SCHEMBL1452441 0.82 CYP3A4 (0.47) CA12CA1CA2CA4CA9
SCHEMBL8958491 0.79 TSHR (0.36) CA12CA9TDP1
SCHEMBL1448955 0.79 KDM4C (0.41) CA12CA1CA2CA4CA9
SCHEMBL21386422 0.78 ESR1 (0.39)
Benzene SCHEMBL28943358 0.75 TDP1 (0.44) CA12CA1CA2GLACA3
Benzene SCHEMBL4445625 0.75 TDP1 (0.44) CA12CA1CA2GLACA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531256-B1 Method for preparing glycosides CIBA GEIGY AG (CH) 1997-04-23 EP claimed
US-5342929-A Direct glycosylation leads to the desired glycosides in high yield and relatively short reaction times using metal complex salts; large amounts of the alpha- or beta-form are often obtained CIBA-GEIGY CORPORATION (US) 1994-08-30 US claimed
US-12415835-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-16 US disclosed
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-23 US disclosed
US-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 US disclosed
EP-3543007-B1 LAMINATE DAIKIN IND LTD (JP) 2023-11-22 EP disclosed
EP-3974563-A1 CYCLIC PEPTIDES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-03-30 EP disclosed
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 EP disclosed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 US disclosed
US-20160311858-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-10-27 US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 US disclosed
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 US disclosed
EP-2813512-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD Chugai Seiyaku Kabushiki Kaisha (JP) 2014-12-17 EP disclosed
WO-2009123675-A1 IMPROVED CARBONYLATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2009-10-08 WO disclosed
US-20090247783-A1 CARBONYLATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2009-10-01 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 (7 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-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R CA12 1113/4885CA1 1024/4885CA2 2242/4885
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CA12 1113/4885CA1 1024/4885CA2 2242/4885
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CA12 1113/4885CA1 1024/4885CA2 2242/4885
US-20160311858-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CA12 1113/4885CA1 1024/4885CA2 2242/4885
US-20090247783-A1 CARBONYLATION PROCESS CA4, HAO2, CA9 CA12 28/4885CA1 61/4885CA2 4/4885
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CA12 1113/4885CA1 1024/4885CA2 2242/4885
US-12415835-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R CA12 1113/4885CA1 1024/4885CA2 2242/4885

“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.