SCHEMBL2511615

SCHEMBL2511615

CCCCCCCCCCCCc1ccc(CCCCCCCCCC)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.77
ADRA2A P08913 2/20 0.77
ADORA3 P0DMS8 2/20 0.77
TACR2 P21452 2/20 0.77
SLC6A2 P23975 2/20 0.77
SLC6A4 P31645 2/20 0.77
SLC6A3 Q01959 2/20 0.77
ALDH1A1 P00352 2/20 0.77
HSD17B10 Q99714 2/20 0.77
KDM4E B2RXH2 1/20 0.77
LMNA P02545 1/20 0.77
SHBG P04278 1/20 0.77
TP53 P04637 1/20 0.77
CYP3A4 P08684 1/20 0.77
HSPD1 P10809 1/20 0.77
ADRB3 P13945 1/20 0.77
HTR2C P28335 1/20 0.77
HSPE1 P61604 1/20 0.77
HIF1A Q16665 1/20 0.77
TST Q16762 1/20 0.77

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
SCHEMBL6680922 1.00 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6681490 1.00 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10758361 1.00 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL561020 1.00 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4037557 1.00 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10571467 1.00 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL23849704 1.00 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1412818 1.00 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6684861 1.00 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10980557 1.00 ESR1 (0.77) 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
EP-2006281-B1 PROCESS FOR PREPARING HIGHLY SOLUBLE STRAIGHT ALKYL AROMATIC SULPHONATES CEPSA QUIM S A (ES) 2018-05-02 EP disclosed
US-8034973-B2 Process for obtaining highly soluble linear alkylbenzene sulfonates CEPSA QUIMICA, S.A. (ES) 2011-10-11 US disclosed
US-20090299091-A1 PROCESS FOR OBTAINING HIGHLY SOLUBLE LINEAR ALKYLBENZENE SULFONATES Petroquimica Española, S.A. (Petresa) ° (ES) 2009-12-03 US disclosed
EP-2006281-A9 PROCESS FOR PREPARING HIGHLY SOLUBLE STRAIGHT ALKYL BENZENE SULPHONATES CEPSA QUIMICA , S.A. (ES) 2009-05-20 EP disclosed
EP-2006281-A2 PROCESS FOR PREPARING HIGHLY SOLUBLE STRAIGHT ALKYL BENZENE SULPHONATES PETROQUIMICA ESPANOLA, S.A. PETRESA (ES) 2008-12-24 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-20090299091-A1 PROCESS FOR OBTAINING HIGHLY SOLUBLE LINEAR ALKYLBENZENE SULFONATES STS, ARSA, SULT2A1 ESR1 3301/4885ADRA2A 1343/4885ADORA3 3622/4885

“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.