SCHEMBL17355004

SCHEMBL17355004

CCCCC1CCC(C2CCC(C3CCC(OC)C(F)C3F)CC2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 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
SCHEMBL17355024 0.96 — —
SCHEMBL17355036 0.95 — —
SCHEMBL17355020 0.92 — —
SCHEMBL15062104 0.92 CYP1A2 (0.38) CYP1A2LMNAMAPK1HTT
SCHEMBL17354982 0.89 CYP1A2 (0.32) CYP1A2LMNAMAPK1HTT
SCHEMBL17355025 0.88 CYP1A2 (0.31) CYP1A2LMNAMAPK1HTT
SCHEMBL17354981 0.88 CYP1A2 (0.31) CYP1A2LMNAMAPK1HTT
SCHEMBL17355017 0.87 — —
SCHEMBL17354979 0.86 CYP1A2 (0.30) CYP1A2LMNAMAPK1HTT
SCHEMBL17355013 0.85 GBA1 (0.30) —

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
US-20180030350-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-02-01 — — US disclosed
US-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 — — US disclosed
US-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 — — US disclosed
EP-2957618-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2015-12-23 — — EP 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 (2 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-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 CYP1A2 3394/4885LMNA 40/4885MAPK1 1806/4885
US-20180030350-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 CYP1A2 3394/4885LMNA 40/4885MAPK1 1806/4885

“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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