SCHEMBL21577526

SCHEMBL21577526

CC1CCC(c2ccc(C#Cc3cc(F)c(N=C=S)c(F)c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
P2RY14 Q15391 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 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
SCHEMBL24390781 0.93 ESR2 (0.38) ESR2P2RY14
SCHEMBL21577530 0.90 P2RY14 (0.33) P2RY14
SCHEMBL22666394 0.89 ESR2 (0.38) ESR2P2RY14
SCHEMBL21577535 0.87 HDAC2 (0.33) P2RY14
SCHEMBL25919448 0.87 CYP3A4 (0.34) P2RY14
SCHEMBL21577521 0.86 ESR2 (0.32) ESR2P2RY14
SCHEMBL26383598 0.86 EGLN1 (0.33) P2RY14EGLN1EGLN3
SCHEMBL21577534 0.86 ESR2 (0.33) ESR2P2RY14
SCHEMBL21577536 0.86 P2RY14 (0.31) P2RY14
SCHEMBL21577529 0.86 ESR2 (0.38) ESR2P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-20230313044-A1 COMPOUND, COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND DEVICE DIC CORPORATION (JP) 2023-10-05 US disclosed
US-11639471-B2 Compound, liquid crystal composition and high-frequency phase shifter DIC CORPORATION (JP) 2023-05-02 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
WO-2022090109-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-05-05 WO disclosed
WO-2022090098-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-05-05 WO disclosed
US-11306251-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-04-19 US disclosed
US-20220025264-A1 COMPOUND, LIQUID-CRYSTAL COMPOSITION, AND RADIOFREQUENCY PHASE SHIFTER DIC CORPORATION (JP) 2022-01-27 US disclosed
WO-2022008474-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2022-01-13 WO disclosed
US-20210179943-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND HIGH-FREQUENCY PHASE SHIFTER DIC CORPORATION (JP) 2021-06-17 US 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-20230313044-A1 COMPOUND, COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND DEVICE NLK, TTI2, LBR ESR2 3690/4885P2RY14 1803/4885EGLN1 4570/4885

“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.