SCHEMBL23625262

SCHEMBL23625262

CC1CC=C(c2ccc3c(sc4cc(C(F)(F)F)ccc43)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.36
BRD4 O60885 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTR2A P28223 3/20 0.30
HTR2C P28335 3/20 0.30
HTR2B P41595 3/20 0.30
SLC6A4 P31645 1/20 0.30
NR1I2 O75469 1/20 0.30
KCNH2 Q12809 1/20 0.30
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
SCHEMBL22122671 0.84 HRH4 (0.32) HRH4
SCHEMBL20614145 0.81 SLC6A4 (0.30) SLC6A4NR1I2KCNH2GRM2
SCHEMBL20614149 0.78 NR1I2 (0.32) SLC6A4NR1I2KCNH2GRM2
SCHEMBL22145558 0.78 IL1B (0.36) BRD4HTR2AHTR2CHTR2BKCNH2
SCHEMBL21095479 0.77 NR1I2 (0.31) NR1I2KCNH2GRM2
SCHEMBL22145777 0.77 PIM1 (0.34) HRH4BRD4HTR2AHTR2CHTR2B
SCHEMBL20614177 0.76
SCHEMBL23625265 0.75
SCHEMBL22145709 0.74
SCHEMBL170373 0.73 SLC6A4 (0.34) BRD4SLC6A4NR1I2KCNH2GRM2

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
WO-2024017812-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-01-25 WO disclosed
WO-2023180505-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-09-28 WO disclosed
US-11447701-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
EP-4015598-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS Merck Patent GmbH (DE) 2022-06-22 EP disclosed
US-20210207029-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS MERCK PATENT GMBH (DE) 2021-07-08 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 (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-11447701-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds NEFM, FES, SBDS HRH4 4246/4885BRD4 3464/4885CYP2D6 3456/4885
US-20210207029-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS NEFM, FES, SBDS HRH4 4246/4885BRD4 3464/4885CYP2D6 3456/4885

“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.