SCHEMBL21858151

SCHEMBL21858151

CCCCCCCCc1ccc(Oc2cccc(Oc3ccc(CCCCCCCC)cc3)c2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
HSPE1 P61604 1/20 0.46
HIF1A Q16665 1/20 0.46
TST Q16762 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL16890696 0.94 CA1 (0.40)
SCHEMBL29508336 0.82 ESR1 (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27871822 0.81 LPAR1 (0.48) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL941555 0.81 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9505414 0.81 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8052300 0.81 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8444312 0.81 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL173284 0.81 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL5510956 0.81 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL93802 0.81 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2

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
US-11856806-B2 Disubstituted dl aryloxybenzoh eterodi azole compounds ENI S.P.A. (IT) 2023-12-26 US disclosed
EP-3867333-B1 DISUBSTITUTED DIARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI SPA (IT) 2022-09-14 EP disclosed
US-20210367176-A1 DISUBSTITUTED DL ARYLOXYBENZOH ETERODI AZOLE COMPOUNDS ENI S.P.A. (US) 2021-11-25 US disclosed
CN-113166138-A Disubstituted diaryloxybenzoheterodiazole compounds 艾尼股份公司 2021-07-23 CN disclosed
WO-2020079654-A1 DISUBSTITUTED DL ARYLOXYBENZOH ETERODI AZOLE COMPOUNDS ENI S.P.A. (IT) 2020-04-23 WO 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-20210367176-A1 DISUBSTITUTED DL ARYLOXYBENZOH ETERODI AZOLE COMPOUNDS CCND3, CCND2, CCND1 ESR1 132/4885ADRA2A 3802/4885ADORA3 2804/4885
US-11856806-B2 Disubstituted dl aryloxybenzoh eterodi azole compounds LSS, CCND1, CCND2 ESR1 219/4885ADRA2A 4640/4885ADORA3 4302/4885

“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.