SCHEMBL17488401

SCHEMBL17488401

Cc1ccc(-c2ccc(OCCO)cc2OCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ PDK2 Q15119 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL19624543 0.93 CHEK2 (0.42) L3MBTL1NR1I2CYP11B1CYP11B2PDK2
SCHEMBL19157196 0.89 PTPN11 (0.46) L3MBTL1CYP11B1CYP11B2ALDH1A1DRD2
SCHEMBL19020168 0.88 TSHR (0.44) L3MBTL1FFAR4ALDH1A1MAPK1SYK
SCHEMBL17485686 0.85 PTPN11 (0.49) L3MBTL1NR1I2ALDH1A1MAPK1CYP3A4
SCHEMBL17485688 0.85 ALDH2 (0.51) L3MBTL1PDK2ALDH1A1RECQLMAOA
SCHEMBL24727509 0.84 PTPN11 (0.52) PDK2PTPN11ALDH2
SCHEMBL19803990 0.83 TDP1 (0.43) L3MBTL1CYP11B1CYP11B2FFAR4CA1
SCHEMBL17488402 0.83 ALOX5AP (0.47) CYP11B1CYP11B2PDK2FFAR4MAOA
SCHEMBL18308824 0.81 ALDH1A1 (0.44) L3MBTL1NR1I2ALDH1A1RECQLMAPK1
SCHEMBL18644007 0.80 ALDH1A1 (0.56) L3MBTL1NR1I2FFAR4ALDH1A1RECQL

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-9938229-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2018-04-10 — — US disclosed
US-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-02-04 — — 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 L3MBTL1 1100/4885NR1I2 4587/4885CYP11B1 4179/4885

“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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