SCHEMBL7998523

SCHEMBL7998523

CCN1C(C)COCC1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL12595649 1.00 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL18431558 1.00 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL12595648 1.00 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL17918952 0.79 ALDH1A1 (0.31)
SCHEMBL25098697 0.79 ALDH1A1 (0.31)
SCHEMBL25808461 0.79 PIK3C3 (0.33)
SCHEMBL17404005 0.76 EBP (0.30)
SCHEMBL1259404 0.76 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL5365309 0.76
SCHEMBL1259402 0.76 NSD2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20210145812-A1 AMINOAMIDE COMPOUNDS BIOTHERYX, INC. (US) 2021-05-20 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-6054033-A AMINE-MODIFIED POLYPHENOL EPOXY RESIN, AN ACRYLIC COPOLYMER HAVING IONIZABLE GROUPS, AND RESIN PARTICLES COMPRISED OF A CORE OF GELLED HYDROPHOBIC RESIN AND A SHELL LAYER OF AMINO GROUP-CONTAINING HYDROPHILIC RESIN. NIPPON PAINT CO., LTD. (JP) 2000-04-25 US disclosed
EP-0448341-B1 Coating composition for precoated metal material NIPPON PAINT CO LTD (JP) 1995-06-07 EP disclosed
EP-0448341-A1 Coating composition for precoated metal material NIPPON PAINT CO., LTD. (JP) 1991-09-25 EP disclosed
US-4659781-A Reactive acrylic oligomer, grafted acrylic resinous composition based on said oligomer and coating composition containing the same NIPPON PAINT CO., LTD. (JP) 1987-04-21 US disclosed
US-3970608-A Epoxidized acetylene-conjugated diene random copolymer and the curable composition comprising the same BRIDGESTONE TIRE COMPANY LIMITED (JA) 1976-07-20 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 (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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CA12 2474/4885CA1 3778/4885CA2 3741/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CA12 2474/4885CA1 3778/4885CA2 3741/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CA12 3861/4885CA1 4552/4885CA2 4386/4885
US-20210145812-A1 AMINOAMIDE COMPOUNDS DNPEP, BCAT2, AADAT CA12 2964/4885CA1 1892/4885CA2 2391/4885

“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.