SCHEMBL2604702

SCHEMBL2604702

COc1ccc(-c2cccc(-c3ccc(CO)cc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.62
▸ ABCB1 P08183 2/20 0.62
▸ BCR P11274 2/20 0.62
▸ HDAC4 P56524 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HPGD P15428 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAOB P27338 3/20 0.53
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2E1 P05181 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C8 P10632 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP4B1 P13584 1/20 0.50
▸ CYP2B6 P20813 1/20 0.50
▸ CYP3A5 P20815 1/20 0.50

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
SCHEMBL12386386 0.91 NPC1 (0.57) ABL1ABCB1BCRMAOBMAPK1
SCHEMBL13079694 0.91 NPC1 (0.57) ABL1ABCB1BCRMAOBMAPK1
SCHEMBL18780699 0.89 ABL1 (0.51) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL31222693 0.89 MAOB (0.66) ABL1ABCB1BCRHDAC4HDAC8
SCHEMBL2604700 0.89 MAOB (0.66) ABL1ABCB1BCRHDAC4HDAC8
SCHEMBL31222694 0.89 MAOB (0.66) ABL1ABCB1BCRHDAC4HDAC8
SCHEMBL1521163 0.89 ABL1 (0.58) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL6285826 0.89 MAOB (0.59) MAOBMAPK1ALDH1A1SMN1; SMN2CYP11B1
SCHEMBL1180429 0.84 ABL1 (0.83) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL13232533 0.84 ABL1 (0.66) ABL1ABCB1BCRHDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 — — 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-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 ABL1 2529/4885ABCB1 4164/4885BCR 1157/4885

“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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