SCHEMBL1609720

SCHEMBL1609720

[C]#CCCCc1ccc(CCCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSPD1 P10809 1/20 0.45
ADRB3 P13945 1/20 0.45

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
SCHEMBL1613007 0.94 ESR1 (0.53) CA2HSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL1610783 0.94 HSD17B10 (0.48) CA2CA1HSD17B10ALDH1A1HPGD
SCHEMBL1610251 0.92 HSD17B10 (0.52) CA2CA1HSD17B10ALDH1A1HPGD
SCHEMBL1612151 0.92 ESR1 (0.57) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL1612219 0.92 HSD17B10 (0.52) CA2CA1HSD17B10ALDH1A1HPGD
SCHEMBL1609951 0.92 ESR1 (0.57) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL1612306 0.92 ESR1 (0.57) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL1611318 0.91 LPL (0.42) CA2CA1HSD17B10ALDH1A1HPGD
SCHEMBL1610923 0.91 CA2 (0.48) CA2CA1HSD17B10ALDH1A1HPGD
SCHEMBL1611896 0.89 ESR1 (0.53) CA2HSD17B10ALDH1A1ESR1ADRA2A

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 3989/4885HSD17B10 805/4885

“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.