SCHEMBL1609718

SCHEMBL1609718

[C]#CC(CC)c1ccc(CCCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
HTR2A P28223 2/20 0.41
RARB P10826 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39

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
SCHEMBL1613005 0.95 HTR2A (0.47) CA2HTR2ARARBALDH1A1HSD17B10
SCHEMBL1612303 0.93 HTR2A (0.50) HTR2ARARBALDH1A1HSD17B10CYSLTR2
SCHEMBL1612149 0.93 HTR2A (0.50) HTR2ARARBALDH1A1HSD17B10CYSLTR2
SCHEMBL1609950 0.93 HTR2A (0.50) HTR2ARARBALDH1A1HSD17B10CYSLTR2
SCHEMBL1611317 0.89 ACACB (0.39) CA2HTR2AALDH1A1HPGDESR1
SCHEMBL3113765 0.88 CA2 (0.41) CA2CA1HTR2ARARBALDH1A1
SCHEMBL1612217 0.88 CA2 (0.41) CA2CA1HTR2ARARBALDH1A1
SCHEMBL1610246 0.86 HTR2A (0.43) CA2CA1HTR2AALDH1A1HSD17B10
SCHEMBL1611893 0.83 HTR2A (0.46) CA2HTR2AALDH1A1HSD17B10CYSLTR2
SCHEMBL1610430 0.83 HTR2A (0.46) CA2HTR2AALDH1A1HSD17B10CYSLTR2

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 CA2 3911/4885CA1 3989/4885HTR2A 599/4885

“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.