SCHEMBL2094841

SCHEMBL2094841

[O]c1ccc(C2CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ESR1 P03372 5/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
GALR1 P47211 1/20 0.41
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
NOTUM Q6P988 2/20 0.38

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
SCHEMBL2097659 0.95 HDAC8 (0.50) ESR2HDAC1HDAC8HDAC6LMNA
SCHEMBL2096234 0.92 HTT (0.48) ESR2HDAC1HDAC8HDAC6LMNA
SCHEMBL2095015 0.92 HTT (0.48) ESR2HDAC1HDAC8HDAC6LMNA
SCHEMBL346890 0.92 HTT (0.48) ESR2HDAC1HDAC8HDAC6LMNA
SCHEMBL2094892 0.89 ESR2 (0.46) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL5886587 0.86 ESR2 (0.56) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL5148273 0.83 ESR2 (0.60) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL781509 0.80 HDAC1 (0.54) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL4400574 0.78 ESR2 (0.63) ESR2HDAC1HDAC8HDAC6ESR1
SCHEMBL6275125 0.77 HDAC8 (0.52) ESR2HDAC1HDAC8HDAC6LMNA

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
EP-4365180-A1 RARE EARTH COMPLEX Tosoh Corporation (JP) 2024-05-08 EP disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
WO-2023190472-A1 CYCLOHEXYLENEDIAMINIUM SALT, USE THEREOF, AND MSE TYPE ZEOLITE OBTAINED USING SAME 公益財団法人相模中央化学研究所 2023-10-05 WO disclosed
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed
US-10988494-B2 Europium complex TOSOH CORPORATION (JP) 2021-04-27 US disclosed
US-20200354389-A1 EUROPIUM COMPLEX SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2020-11-12 US disclosed
CN-111406059-A Europium complexes 东曹株式会社 2020-07-10 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 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 (3 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ESR2 338/4885HDAC1 280/4885HDAC8 1199/4885
US-10988494-B2 Europium complex SSB, XPA, UACA ESR2 62/4885HDAC1 1056/4885HDAC8 2845/4885
US-20200354389-A1 EUROPIUM COMPLEX SSB, XPA, UACA ESR2 62/4885HDAC1 1056/4885HDAC8 2845/4885

“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.