SCHEMBL18311338

SCHEMBL18311338

CCCCOc1ccc(-c2ccc(OCCO)cc2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.48
▸ MGAM O43451 4/20 0.48
▸ SI P14410 4/20 0.48
▸ MGAM2 Q2M2H8 4/20 0.48
▸ PTPN11 Q06124 2/20 0.47
▸ CYP3A4 P08684 3/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2E1 P05181 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP4B1 P13584 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ CYP3A5 P20815 1/20 0.45
▸ CYP2A7 P20853 1/20 0.45
▸ CYP3A7 P24462 1/20 0.45
▸ CYP2F1 P24903 1/20 0.45
▸ CYP2C18 P33260 1/20 0.45

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
SCHEMBL17485686 0.91 PTPN11 (0.49) GAAPTPN11CYP3A4CYP2D6CYP1A2
SCHEMBL18311339 0.90 GAA (0.56) GAAMGAMSIMGAM2PTPN11
SCHEMBL18311341 0.87 ESR1 (0.59) GAAMGAMSIMGAM2CYP3A4
SCHEMBL14354863 0.85 CYP2D6 (0.51) GAAPTPN11CYP3A4CYP2D6CYP1A2
SCHEMBL18308824 0.83 ALDH1A1 (0.44) GAAMGAMSIMGAM2CYP3A4
SCHEMBL18308825 0.83 ESR1 (0.62) GAAMGAMSIMGAM2
SCHEMBL18411547 0.82 GAA (0.56) GAAMGAMSIMGAM2CYP4F2
SCHEMBL25852886 0.80 PTPN11 (0.54) PTPN11CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL18682514 0.80 CYP3A4 (0.66) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL15162229 0.80 NR1I2 (0.64) GAACYP3A4CYP2D6CYP1A2CYP2C9

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
EP-3121247-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-01-25 — — EP disclosed
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-12-15 — — 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-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 GAA 3645/4885MGAM 541/4885SI 3143/4885

“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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