SCHEMBL17485686

SCHEMBL17485686

CCCCOc1ccc(-c2ccc(OCCO)cc2OCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.49
▸ CYP2D6 P10635 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ SLCO1B3 Q9NPD5 1/20 0.46
▸ SLCO1B1 Q9Y6L6 1/20 0.46
▸ LTA4H P09960 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
SCHEMBL14354863 0.95 CYP2D6 (0.51) PTPN11CYP2D6CYP3A4MEN1ALDH1A1
SCHEMBL18311338 0.91 GAA (0.48) PTPN11CYP2D6CYP3A4NR1I2MEN1
SCHEMBL25852886 0.89 PTPN11 (0.54) PTPN11CYP2D6CYP3A4LTA4HNR5A1
SCHEMBL17485690 0.87 MCL1 (0.46) PTPN11CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19157196 0.87 PTPN11 (0.46) PTPN11CYP2D6CYP3A4MEN1ALDH1A1
SCHEMBL17488401 0.85 L3MBTL1 (0.41) PTPN11CYP3A4NR1I2ALDH1A1L3MBTL1
SCHEMBL24566635 0.84 PTPN11 (0.44) PTPN11CYP2D6CYP3A4MEN1ALDH1A1
SCHEMBL14231474 0.84 MEN1 (0.51) PTPN11CYP2D6CYP3A4MEN1ALDH1A1
SCHEMBL20928533 0.84 PTPN11 (0.47) PTPN11CYP2D6CYP3A4NPC1RAB9A
SCHEMBL30504182 0.84 PTPN11 (0.47) PTPN11CYP2D6CYP3A4NPC1RAB9A

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
EP-3124465-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-02-01 — — EP disclosed
US-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-02-04 — — US disclosed
EP-2980062-A2 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2016-02-03 — — EP disclosed
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 — — 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-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, ILK, LCP1 PTPN11 770/4885CYP2D6 2575/4885CYP3A4 1699/4885

“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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