SCHEMBL17754258

SCHEMBL17754258

Oc1ccc(-c2ccc3cc(OC4CCCCO4)ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
HSD11B1 P28845 1/20 0.41
DHFR P00374 1/20 0.39
TNK2 Q07912 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTPN1 P18031 1/20 0.39
MIF P14174 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35

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
SCHEMBL15460118 0.89 MEN1 (0.46) HSD11B1DHFRTNK2NPC1RAB9A
SCHEMBL217929 0.89 TNK2 (0.43) ESR1ESR2HSD11B1DHFRTNK2
SCHEMBL15093959 0.84 MEN1 (0.43) ESR1ESR2HSD11B1DHFRTNK2
SCHEMBL222919 0.84 MEN1 (0.43) ESR1ESR2HSD11B1DHFRTNK2
SCHEMBL15093765 0.84 MEN1 (0.43) ESR1ESR2HSD11B1DHFRTNK2
SCHEMBL17754338 0.81 APP (0.41) ESR1ESR2HSD11B1TNK2PTPN1
SCHEMBL17754325 0.80 KMT2A (0.37) HSD11B1DHFRTNK2NPC1RAB9A
SCHEMBL11685762 0.80 KDM4C (0.48) HSD11B1DHFRTNK2NPC1RAB9A
SCHEMBL22459334 0.80 PTPN1 (0.41) ESR1HSD11B1PTPN1MEN1KMT2A
SCHEMBL7155013 0.79 ALDH1A1 (0.41) ESR1ESR2HSD11B1TNK2PTPN1

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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 ESR1 4794/4885ESR2 4850/4885HSD11B1 1819/4885

“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.