SCHEMBL3057782

SCHEMBL3057782

c1ccc2c(c1)CCCc1ccccc1CCC2

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.86
MAOB P27338 4/20 0.55
MAOA P21397 3/20 0.55
CYP2A6 P11509 2/20 0.55
HTR2C P28335 1/20 0.53
MAPT P10636 1/20 0.48
PNMT P11086 1/20 0.46
CD44 P16070 1/20 0.46
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
PLAU P00749 1/20 0.42

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
SCHEMBL9662 1.00
SCHEMBL29354295 1.00
SCHEMBL451157 1.00 TSHR (0.86) TSHRMAOBMAOACYP2A6HTR2C
Ammonia Solution, Strong SCHEMBL6332955 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Bromide SCHEMBL9504217 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Methane SCHEMBL19946467 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL8676208 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL6277308 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Ammonia Solution, Strong SCHEMBL1151087 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Water SCHEMBL7121211 0.96 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE 2010-08-19 US disclosed
EP-2147005-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME National University of Singapore (SG) 2010-01-27 EP disclosed
WO-2008127197-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-10-23 WO 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-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME CASP3, BAX, CASP7 TSHR 4134/4885MAOB 3590/4885MAOA 3480/4885

“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.