SCHEMBL1611536

SCHEMBL1611536

[CH2]CCCCCCc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.47
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 1/20 0.38
HIF1A Q16665 1/20 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
SCHEMBL1611760 1.00 ESR1 (0.47) ESR1THRATHRBADRA2AADORA3
SCHEMBL1611580 1.00 ESR1 (0.47) ESR1THRATHRBADRA2AADORA3
SCHEMBL1609925 0.98 ESR1 (0.48) ESR1THRATHRBADRA2AADORA3
SCHEMBL1612101 0.92 ESR1 (0.50) ESR1THRATHRBADRA2AADORA3
SCHEMBL1611333 0.83 ESR1 (0.54) ESR1THRATHRBSLC6A2SLC6A4
SCHEMBL1610540 0.80 KCNH2 (0.59) LMNAKCNH2
SCHEMBL1610427 0.80 KCNH2 (0.59) LMNAKCNH2
SCHEMBL1612405 0.80 KCNH2 (0.59) LMNAKCNH2
SCHEMBL11444739 0.80 KCNH2 (0.59) LMNAKCNH2
SCHEMBL1610531 0.78 KCNH2 (0.61) LMNATP53KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ESR1 1107/4885THRA 2721/4885THRB 2154/4885

“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.