SCHEMBL4924952

SCHEMBL4924952

O=C1OC(=O)c2c1cc(Cl)c(F)c2F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TYMS P04818 1/20 0.35
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL854561 0.86 ALDH1A1 (0.41) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL855653 0.79 ALOX15 (0.37) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL30523205 0.79 ALOX15 (0.37) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL27801935 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL855592 0.76 ALDH1A1 (0.38) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL9284604 0.76 TYMS (0.47) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL855562 0.75 ALDH1A1 (0.52) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL4924942 0.74 ALDH1A1 (0.41) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL13991787 0.73 TSHR (0.39) ALDH1A1TSHR
SCHEMBL79833 0.73 ALOX15 (0.48) ALDH1A1TSHRTYMSALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
WO-2008103320-A1 METHODS OF TREATING OPHTHALMIC DISORDERS WITH ANTHRAQUINONES NOVACEA, INC. (US) 2008-08-28 WO disclosed
WO-2006031719-A2 1,4-BIS-N-OXIDE-5,8-DIHYDROXYANTHRACENEDIONE COMPOUNDS AND THE USE THEREOF NOVACEA, INC. (US) 2006-03-23 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 (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-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof RB1, BRCA1, CCNA1 ALDH1A1 103/4885TSHR 2635/4885TYMS 2080/4885

“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.