SCHEMBL9979797

SCHEMBL9979797

CCCCCC1CCC(C2CCC(C3CCC(CC)CC3)CC2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.34
▸ PKM P14618 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL9999747 1.00 CYP1A2 (0.34) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL13464035 1.00 CYP1A2 (0.34) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL13463951 0.95 CYP1A2 (0.39) CYP1A2HTTLMNAMAPK1
SCHEMBL9979801 0.95 CYP1A2 (0.39) CYP1A2HTTLMNAMAPK1
SCHEMBL13463953 0.95 CYP1A2 (0.37) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL13464034 0.94 CYP1A2 (0.40) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL9999744 0.92 CYP1A2 (0.35) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL13464012 0.92 CYP1A2 (0.35) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL13463952 0.92 CYP1A2 (0.35) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL13464015 0.91 CYP1A2 (0.42) CYP1A2HTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340328-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-26 — — US disclosed
US-11667845-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 — — US disclosed
US-20180223187-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-08-09 — — US disclosed
WO-2017102053-A2 CINNAMIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed
EP-2628779-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-05-17 — — EP disclosed
EP-2993216-A1 COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2016-03-09 — — EP disclosed
US-20150275088-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-01 — — US disclosed
US-20150275088-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-01 — — US disclosed
WO-2012079676-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-06-21 — — WO 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-11667845-B2 Liquid crystalline medium NEFM, CCNI, MYT1 CYP1A2 295/4885PKM 1261/4885HTT 759/4885
US-20150275088-A1 LIQUID-CRYSTALLINE MEDIUM SOST, FES, VIM CYP1A2 2987/4885PKM 736/4885HTT 1364/4885

“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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