SCHEMBL1612475

SCHEMBL1612475

[C]#CC(CCC)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
CYP19A1 P11511 2/20 0.33
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 3/20 0.32
MC4R P32245 1/20 0.32
ACP3 P15309 1/20 0.32
CYP2D6 P10635 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL1611234 0.89 ESR1 (0.37) ESR1CYP19A1TSHRACHEMC4R
SCHEMBL1612270 0.88 ESR1 (0.36) ESR1CYP19A1MC4RNPSR1
SCHEMBL1610341 0.86 ADRA2A (0.34) TSHRSLC6A2CYP2D6ADRA2AADRA2B
SCHEMBL1611729 0.85 ESR1 (0.42) ESR1CYP19A1TSHRACHESLC6A2
SCHEMBL1611054 0.79 CA1 (0.33) POLB
SCHEMBL1611550 0.79 TAS1R3 (0.33) POLB
SCHEMBL1611999 0.79 TAS1R3 (0.33) ESR1SLC6A2CYP2D6CHRM1CYP2C19
SCHEMBL1611569 0.77 ALDH1A1 (0.43) TSHRSLC6A4CYP2C19CYP2C9GAA
SCHEMBL1611307 0.76
SCHEMBL1611050 0.76 PTGES (0.33) TSHRSLC6A2CYP2D6ADRA2AADRA2B

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 1 patent. 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

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 ESR1 1107/4885CYP19A1 353/4885TSHR 2994/4885

“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.