SCHEMBL17231858

SCHEMBL17231858

Cc1ccc(C(OO)c2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.50
▸ SLC18A3 Q16572 1/20 0.37
▸ LIPE Q05469 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL24597681 0.81 ESR2 (0.65) ESR2SLC18A3LIPEALDH1A1PKM
SCHEMBL19937427 0.81 ESR2 (0.65) ESR2SLC18A3LIPEALDH1A1PKM
SCHEMBL21425138 0.78 ESR2 (0.46) ESR2SLC18A3LIPEALDH1A1MEN1
SCHEMBL10454546 0.77 CHRNA7 (0.42) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL17231854 0.77 CHRNA7 (0.42) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL19979366 0.76 RAB9A (0.38) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL17666384 0.76 ESR2 (0.59) ESR2SLC18A3LIPEALDH1A1PKM
SCHEMBL11280912 0.76 ESR2 (0.59) ESR2SLC18A3ALDH1A1PKMFFAR1
SCHEMBL14228683 0.76 ESR2 (0.38) ESR2
SCHEMBL14231502 0.75 ESR2 (0.53) ESR2SLC18A3ALDH1A1PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9752075-B2 Mesogenic media and liquid crystal display MERCK PATENT GMBH (DE) 2017-09-05 — — US disclosed
US-20160298031-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-10-13 — — US disclosed
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-10-06 — — US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 — — US disclosed
US-20160222293-A1 MESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-04 — — US disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 — — 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 (3 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-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MTX1, NEFM, MTX2 ESR2 3561/4885SLC18A3 1565/4885LIPE 1553/4885
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 ESR2 1263/4885SLC18A3 3748/4885LIPE 4429/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 ESR2 1738/4885SLC18A3 3991/4885LIPE 4372/4885

“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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