SCHEMBL1612271

SCHEMBL1612271

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2A6 P11509 1/20 0.45
TP53 P04637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CA2 P00918 1/20 0.33
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1611144 0.83 ACACB (0.43) L3MBTL1ALDH1A1HPGDLPLLIPG
SCHEMBL1610919 0.80 CA2 (0.43) TSHRTP53ALDH1A1LMNAHPGD
SCHEMBL1611401 0.79 HTR2A (0.49) TSHRTP53ALDH1A1LMNALPL
SCHEMBL19416761 0.78 TSHR (0.47) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL1611614 0.78 ALDH1A1 (0.41) L3MBTL1TSHRTDP1ALDH1A1HPGD
SCHEMBL10763084 0.78 L3MBTL1 (0.47) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL910425 0.78 L3MBTL1 (0.47) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL955062 0.78 CYP2A6 (0.50) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL1611811 0.78 ESR1 (0.45) ALDH1A1LMNA
SCHEMBL1610921 0.77 HTR2A (0.51) TSHRTP53ALDH1A1LMNALPL

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 L3MBTL1 236/4885TSHR 2994/4885MAPK1 1601/4885

“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.