Sugi Predict

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SCHEMBL12154262

SCHEMBL12154262

C=CC(=O)COc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 4/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SRD5A2 P31213 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ ACR P10323 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33

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
SCHEMBL12154274 1.00 THRB (0.38) THRBKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL13913494 0.96 THRB (0.40) THRBKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL15583457 0.92 THRB (0.43) THRBKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL16449837 0.92 THRB (0.43) THRBKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12242790 0.92 THRB (0.43) THRBKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12242618 0.92 THRB (0.43) THRBKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12154286 0.92 THRB (0.43) THRBKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12242511 0.91 FFAR1 (0.38) THRBKMT2AMAPTLMNAPRSS1
SCHEMBL16788456 0.90 THRB (0.40) THRBKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL17754303 0.90 KMT2A (0.43) THRBKMT2AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8425988-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition and anisotropic polymer JNC CORPORATION (JP) 2013-04-23 — — US disclosed
US-8048496-B2 Polymerizable liquid crystal compound, liquid crystal composition and polymer JNC CORPORATION (JP) 2011-11-01 — — US disclosed
US-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER CHISSO CORPORATION (JP) 2011-06-23 — — US disclosed
US-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER CHISSO CORPORATION 2010-04-22 — — 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 (2 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-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER PKN1, ZYX, OXER1 THRB 3732/4885KMT2A 1370/4885MAPT 2557/4885
US-20110147657-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND ANISOTROPIC POLYMER SSB, LEF1, UACA THRB 4550/4885KMT2A 579/4885MAPT 12/4885

“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.