SCHEMBL21577522

SCHEMBL21577522

CCCC1CCC(c2ccc(C#Cc3cc(F)c(N=C=S)c(F)c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 2/20 0.41
ESR2 Q92731 3/20 0.35
P2RY14 Q15391 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL24390790 0.94 MEN1 (0.41) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL21577523 0.93 MEN1 (0.36) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL21577529 0.93 ESR2 (0.38) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL23510905 0.93 ALDH1A1 (0.38) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL21577525 0.92 MEN1 (0.35) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL21577521 0.91 ESR2 (0.32) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL22666477 0.90 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL21577534 0.88 ESR2 (0.33) CYP2C9ESR2P2RY14ESR1CYP3A4
SCHEMBL26941819 0.88 MEN1 (0.41) ALDH1A1LMNAMAPTMEN1MAPK1
SCHEMBL24390772 0.87 MEN1 (0.35) ALDH1A1LMNAMAPTMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME DIC CORPORATION (JP) 2024-07-11 US disclosed
US-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME DIC CORPORATION (JP) 2024-07-11 US disclosed
US-20230400721-A1 METHOD FOR PRODUCING LIQUID CRYSTAL MATERIAL, METHOD FOR EVALUATING LIQUID CRYSTAL MATERIAL, MEASUREMENT APPARATUS THEREFOR, AND LIQUID CRYSTAL MATERIAL DIC CORPORATION (JP) 2023-12-14 US disclosed
US-20230400721-A1 METHOD FOR PRODUCING LIQUID CRYSTAL MATERIAL, METHOD FOR EVALUATING LIQUID CRYSTAL MATERIAL, MEASUREMENT APPARATUS THEREFOR, AND LIQUID CRYSTAL MATERIAL DIC CORPORATION (JP) 2023-12-14 US disclosed
US-20230235228-A1 LIQUID CRYSTAL (LC) COMPOSITION WITH EXTREMELY-LOW DIELECTRIC LOSS AND HIGH-FREQUENCY COMPONENT INCLUDING SAME XI'AN MODERN CHEMISTRY RESEARCH INSTITUTE (CN) 2023-07-27 US disclosed
US-20230235228-A1 LIQUID CRYSTAL (LC) COMPOSITION WITH EXTREMELY-LOW DIELECTRIC LOSS AND HIGH-FREQUENCY COMPONENT INCLUDING SAME XI'AN MODERN CHEMISTRY RESEARCH INSTITUTE (CN) 2023-07-27 US disclosed
EP-4137552-A1 LIQUID CRYSTAL COMPOSITION HAVING EXTREMELY LOW DIELECTRIC LOSS, AND HIGH-FREQUENCY COMPONENT COMPRISING SAME Xi'an Modern Chemistry Research Institute (CN) 2023-02-22 EP disclosed
US-11306251-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-04-19 US disclosed
WO-2022008474-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2022-01-13 WO disclosed
US-20190352564-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-11-21 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-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME TTI2, CCT4, CCT2 ALDH1A1 4223/4885LMNA 2416/4885MAPT 775/4885

“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.