SCHEMBL2394485

SCHEMBL2394485

CCC1CCC(c2ccc(B(O)O)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.36
ESR1 P03372 6/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.36
DRD2 P14416 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
QDPR P09417 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL30817700 1.00 ESR2 (0.36) ESR2ESR1CYP2C9CYP3A4DRD2
SCHEMBL2392780 0.88 CYP2C9 (0.49) ESR2ESR1CYP2C9CYP3A4DRD2
SCHEMBL6558027 0.88 CYP2C9 (0.49) ESR2ESR1CYP2C9CYP3A4DRD2
SCHEMBL30400657 0.88 CYP2C9 (0.49) ESR2ESR1CYP2C9CYP3A4DRD2
SCHEMBL8222402 0.87 CYP2C9 (0.48) ESR2ESR1CYP2C9CYP3A4DRD2
SCHEMBL8222400 0.87 CYP2C9 (0.48) ESR2ESR1CYP2C9CYP3A4DRD2
SCHEMBL8222398 0.87 CYP2C9 (0.48) ESR2ESR1CYP2C9CYP3A4DRD2
SCHEMBL28382459 0.86 CYP2C9 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1754931 0.85 CYP2C9 (0.46) ESR2ESR1CYP2C9CYP3A4DRD2
SCHEMBL30309465 0.85 CYP2C9 (0.40) ESR2CYP2C9CYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510421-B Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-04-05 CN disclosed
CN-117510421-A Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-02-06 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
US-8211513-B2 Liquid-crystalline compounds and liquid-crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-03 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
US-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-29 US disclosed
EP-2368966-A1 Liquid crystalline compounds and liquid crystalline media Merck Patent GmbH (DE) 2011-09-28 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 (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-20110233466-A1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE MEDIA CFB, CFD, LCT ESR2 4528/4885ESR1 4322/4885CYP2C9 1926/4885

“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.