SCHEMBL1612260

SCHEMBL1612260

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
CYP2A6 P11509 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL1610729 0.89 TSHR (0.40) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL1609902 0.87 TSHR (0.39) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL1611526 0.87 ACACB (0.38) L3MBTL1ESR1ESR2LPLLIPG
SCHEMBL1612452 0.84 TSHR (0.45) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL3113765 0.84 CA2 (0.41) TSHRESR1TP53LPLLIPG
SCHEMBL1609738 0.82 FFAR1 (0.36) TDP1ESR1ESR2ALDH1A1CYP19A1
SCHEMBL1612164 0.82 FFAR1 (0.36) L3MBTL1ESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL1611158 0.82 ESR1 (0.40) ESR1ESR2
SCHEMBL1611893 0.82 HTR2A (0.46) TSHRESR1TP53LPLLIPG
SCHEMBL1611324 0.81 HTR2A (0.49) TSHRESR1TP53LPLLIPG

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 2994/4885MAPK1 1601/4885ATM 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.