SCHEMBL1892183

SCHEMBL1892183

CCCC12CCC(=O)C=C1c1c(cc(OCc3ccccc3C3=NCCO3)c(Cl)c1Cl)C2

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.43
ESR1 P03372 6/20 0.43
GRM2 Q14416 3/20 0.32

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
SCHEMBL7789806 1.00 ESR2 (0.43) ESR2ESR1GRM2
SCHEMBL1888940 0.86 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL7782050 0.86 ESR2 (0.42) ESR2ESR1GRM2
SCHEMBL7789801 0.86 ESR2 (0.41) ESR2ESR1GRM2
SCHEMBL1888520 0.86 ESR2 (0.41) ESR2ESR1GRM2
SCHEMBL7787597 0.85 ESR2 (0.45) ESR2ESR1GRM2
SCHEMBL1905793 0.85 ESR2 (0.45) ESR2ESR1GRM2
SCHEMBL7782046 0.80 ESR2 (0.41) ESR2ESR1GRM2
SCHEMBL7791087 0.80 ESR2 (0.48) ESR2ESR1GRM2
SCHEMBL7789804 0.80 ESR2 (0.41) ESR2ESR1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130189246-A1 TREATMENT OF OPHTHALMIC CONDITIONS WITH FLUORENONE DERIVATIVES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 US claimed
EP-2501227-A1 TREATMENT OF OPHTHALMIC CONDITIONS WITH FLUORENONE DERIVATIVES The Trustees of Columbia University in the City of New York (US) 2012-09-26 EP claimed
WO-2011059881-A1 TREATMENT OF OPHTHALMIC CONDITIONS WITH FLUORENONE DERIVATIVES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-05-19 WO claimed
US-6251898-B1 Medical use of fluorenone derivatives for treating and preventing brain and spinal injury QUESTCOR PHARMACEUTICALS, INC. 2001-06-26 US claimed
WO-2001014334-A1 FLUORENONE COMPOUNDS WITH MODIFIED 7-POSITION SUBSTITUENTS FOR TREATING AND PREVENTING BRAIN AND SPINAL INJURY QUESTCOR PHARMACEUTICALS, INC. (US) 2001-03-01 WO claimed
US-20130189246-A1 TREATMENT OF OPHTHALMIC CONDITIONS WITH FLUORENONE DERIVATIVES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 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 (1 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-20130189246-A1 TREATMENT OF OPHTHALMIC CONDITIONS WITH FLUORENONE DERIVATIVES ALDH1A2, GLI2, MMP1 ESR2 389/4885ESR1 2644/4885GRM2 900/4885

“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.