SCHEMBL12224070

SCHEMBL12224070

CCCc1ccc(C2CCC(OC(=O)C3CCC(C4CCC(c5ccc(C6CO6)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12222996 0.93 CTSL (0.36) ALDH1A1TDP1
SCHEMBL12223369 0.89 — —
SCHEMBL12223971 0.88 — —
SCHEMBL12197462 0.87 SMN1; SMN2 (0.35) ALDH1A1TDP1
SCHEMBL12197475 0.87 SMN1; SMN2 (0.35) ALDH1A1TDP1
SCHEMBL12223940 0.86 HPGD (0.33) ALDH1A1TDP1
SCHEMBL12223541 0.84 CTSL (0.34) —
SCHEMBL12197467 0.84 CNR2 (0.33) ALDH1A1TDP1
SCHEMBL12197483 0.84 CNR2 (0.33) ALDH1A1TDP1
SCHEMBL12223380 0.83 TYR (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 ALDH1A1 2333/4885TDP1 3584/4885

“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.

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