SCHEMBL1611133

SCHEMBL1611133

[C]#CCCc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CYP17A1 P05093 1/20 0.46
HTT P42858 1/20 0.42
SRD5A2 P31213 1/20 0.41
CYP1A2 P05177 4/20 0.41
ADRA2A P08913 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL1609686 0.91 TSHR (0.47) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1611215 0.89 TSHR (0.46) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1610800 0.88 TSHR (0.45) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1612279 0.88 TSHR (0.45) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL7195015 0.84 GPR84 (0.60) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL8662544 0.84 TSHR (0.49) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1611002 0.83 TSHR (0.51) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL1609629 0.78 TSHR (0.53) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL16638077 0.78 SMN1; SMN2 (0.59) TSHRALDH1A1ATMNPSR1GPR84
SCHEMBL3453144 0.78 TSHR (0.53) 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.