SCHEMBL3215952

SCHEMBL3215952

C1=c2cc3c(cc2Cc2ccccc21)=Cc1ncccc1C3.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 3/20 0.39
TRPA1 O75762 1/20 0.34
CYP19A1 P11511 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
IP6K1 Q92551 1/20 0.31
IP6K3 Q96PC2 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL27991450 0.98 CYP11B2 (0.40) CYP11B2CYP11B1TRPA1CYP19A1MAOA
SCHEMBL3215956 0.97 CYP11B2 (0.39) CYP11B2CYP11B1TRPA1CYP19A1MAOA
SCHEMBL29172622 0.83 TRPA1 (0.41) CYP11B2CYP11B1TRPA1MAOAMAOB
SCHEMBL401773 0.73 TRPA1 (0.40) CYP11B2CYP11B1TRPA1CYP19A1MAOA
SCHEMBL13859949 0.67 TSHR (0.35) TRPA1CYP19A1MAOAMAOB
SCHEMBL19810041 0.67 CYP11B1 (0.40) CYP11B2CYP11B1TRPA1MAOAMAOB
SCHEMBL12094093 0.66 HSP90AA1 (0.35) CYP11B2CYP11B1
SCHEMBL15056698 0.66 CYP11B2 (0.36) CYP11B2CYP11B1TRPA1CYP19A1GPR84
SCHEMBL4851869 0.66 TRPA1 (0.33) CYP11B2CYP11B1TRPA1MAOAMAOB
SCHEMBL30848588 0.65 KDM4E (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005070-B2 Protective agent for keratoconjunctiva or suppressive agent for keratoconjunctival disorder TOYO SUGAR REFINING CO., LTD. (JP) 2024-06-11 US disclosed
CN-111526892-B Ophthalmic product and masking method 狮王株式会社 2024-03-22 CN disclosed
CN-111526892-A Ophthalmic product and masking method 狮王株式会社 2020-08-11 CN disclosed
EP-2783689-B1 KERATOCONJUNCTIVAL PROTECTING AGENT, OR KERATOCONJUNCTIVAL DISORDER INHIBITING AGENT TOYO SUGAR REFINING CO LTD (JP) 2019-09-25 EP disclosed
US-20160367584-A1 PROTECTIVE AGENT FOR KERATOCONJUNCTIVA OR SUPPRESSIVE AGENT FOR KERATOCONJUNCTIVAL DISORDER TOYO SUGAR REFINING CO., LTD. (JP) 2016-12-22 US disclosed
US-20140315836-A1 PROTECTIVE AGENT FOR KERATOCONJUNCTIVA OR SUPPRESSIVE AGENT FOR KERATOCONJUNCTIVAL DISORDER TOYO SUGAR REFINING CO., LTD. (JP) 2014-10-23 US disclosed
EP-2783689-A1 KERATOCONJUNCTIVAL PROTECTING AGENT, OR KERATOCONJUNCTIVAL DISORDER INHIBITING AGENT Toyo Sugar Refining Co., Ltd. (JP) 2014-10-01 EP disclosed
US-20100069323-A1 COMPOSITION FOR APPLICATION TO SKIN OR MUCOSA ROHTO PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
CN-101534863-A Composition for application to the skin or mucosa ROHTO PHARMA (JP) 2009-09-16 CN 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 (3 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-20160367584-A1 PROTECTIVE AGENT FOR KERATOCONJUNCTIVA OR SUPPRESSIVE AGENT FOR KERATOCONJUNCTIVAL DISORDER UGCG, GBA1, GOLGA2 CYP11B2 3651/4885CYP11B1 4125/4885TRPA1 3105/4885
US-20140315836-A1 PROTECTIVE AGENT FOR KERATOCONJUNCTIVA OR SUPPRESSIVE AGENT FOR KERATOCONJUNCTIVAL DISORDER UGCG, GBA1, GOLGA2 CYP11B2 3651/4885CYP11B1 4125/4885TRPA1 3105/4885
US-12005070-B2 Protective agent for keratoconjunctiva or suppressive agent for keratoconjunctival disorder UGCG, GBA1, GOLGA2 CYP11B2 3651/4885CYP11B1 4125/4885TRPA1 3105/4885

“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.