SCHEMBL1609686

SCHEMBL1609686

[C]#CCCCc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP17A1 P05093 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.40
SRD5A2 P31213 1/20 0.40
CYP1A2 P05177 3/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2C P28335 2/20 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
SCHEMBL1611215 0.95 TSHR (0.46) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1610800 0.94 TSHR (0.45) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1612279 0.94 TSHR (0.45) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1611133 0.91 TSHR (0.49) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL7195015 0.82 GPR84 (0.60) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1611002 0.81 TSHR (0.51) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL29566807 0.80 TSHR (0.54) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL11843513 0.80 TSHR (0.54) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1611370 0.80 TSHR (0.50) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL8663258 0.79 ALDH1A1 (0.45) TSHRALDH1A1ATMNPSR1GPR84

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 TSHR 2994/4885ALDH1A1 137/4885ATM 1470/4885

“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.