SCHEMBL1611230

SCHEMBL1611230

[C]#CC(CCC)c1ccc(CCCCCCCCCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.49
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL1611324 1.00 HTR2A (0.49) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1610763 1.00 HTR2A (0.49) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1611893 0.98 HTR2A (0.46) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1612231 0.94 HTR2A (0.49) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1610908 0.94 HTR2A (0.49) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1612334 0.94 HTR2A (0.49) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1609818 0.94 HTR2A (0.49) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1611531 0.94 HTR2A (0.49) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1611122 0.94 HTR2A (0.49) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL3113765 0.93 CA2 (0.41) HTR2AESR1ADRA2AADORA3TACR2

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 HTR2A 599/4885ESR1 1107/4885ADRA2A 2494/4885

“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.