SCHEMBL20647304

SCHEMBL20647304

C[C@H]1CC[C@H](C(F)(F)Oc2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(OC(F)(F)[C@H]7CC[C@H](C)CC7)cc6F)s5)c5nsnc45)s3)c(F)c2)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL22241019 1.00 ESR1 (0.31) ESR1ESR2GRM2
SCHEMBL20647416 0.87 APP (0.33) —
SCHEMBL22241066 0.87 APP (0.33) —
SCHEMBL18464125 0.86 GRM2 (0.31) GRM2
SCHEMBL17694320 0.85 — —
SCHEMBL21134113 0.83 APP (0.30) —
SCHEMBL21846598 0.81 MMP13 (0.30) —
SCHEMBL20806198 0.81 ESR1 (0.37) ESR1ESR2
SCHEMBL18464128 0.76 GABBR2 (0.30) —
SCHEMBL18464127 0.76 GABBR2 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11015123-B2 Liquid-crystal material MERCK PATENT GMBH (DE) 2021-05-25 — — US disclosed
US-20200255741-A1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-08-13 — — US disclosed
US-10723950-B2 Liquid-crystalline mixtures MERCK PATENT GMBH (DE) 2020-07-28 — — US disclosed
US-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound MERCK PATENT GMBH (DE) 2019-07-09 — — US disclosed
US-20190016955-A1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2019-01-17 — — 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-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound CRY1, SLC25A1, CRY2 ESR1 2151/4885ESR2 2050/4885GRM2 2140/4885

“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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