SCHEMBL12823183

SCHEMBL12823183

CCCC(O)C1CCC(c2ccc(C3CCC(C(=O)Oc4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ FFAR1 O14842 6/20 0.31
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ MAP2K1 Q02750 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
SCHEMBL12822742 0.88 ATM (0.38) POLBL3MBTL1FFAR1HTTKMT2A
SCHEMBL12823109 0.87 HPGD (0.32) —
SCHEMBL12823145 0.86 HPGD (0.32) L3MBTL1KMT2A
SCHEMBL13586245 0.85 HPGD (0.36) FFAR1KMT2A
SCHEMBL12823379 0.85 CA2 (0.35) POLBL3MBTL1HTTKMT2ASMN1; SMN2
SCHEMBL12822282 0.84 HPGD (0.31) —
SCHEMBL12822666 0.84 KMT2A (0.31) KMT2A
SCHEMBL12823419 0.84 KDM4E (0.31) HTTKMT2A
SCHEMBL12823184 0.84 ALOX5AP (0.33) KMT2A
SCHEMBL13586143 0.82 RARA (0.34) —

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 POLB 4154/4885L3MBTL1 202/4885FFAR1 247/4885

“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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