SCHEMBL1709334

SCHEMBL1709334

CCC(=O)[C@H](CC)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CNR2 P34972 1/20 0.44
CTSC P53634 1/20 0.43
POLB P06746 1/20 0.43
KEAP1 Q14145 1/20 0.42
ANPEP P15144 1/20 0.42
ERAP1 Q9NZ08 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
SCHEMBL1709301 1.00 TSHR (0.47) TSHRCYP1A2SMN1; SMN2MEN1HTT
SCHEMBL585398 0.85 CYP1A2 (0.59) TSHRCYP1A2ANPEPERAP1
Hydrochloric Acid SCHEMBL28284494 0.84 CYP1A2 (0.57) TSHRCYP1A2ANPEPERAP1
SCHEMBL7483571 0.82 ERAP1 (0.51) TSHRCYP1A2SMN1; SMN2MEN1HTT
SCHEMBL1709339 0.81 CYP1A2 (0.64) CYP1A2ANPEP
SCHEMBL1709283 0.81 CYP1A2 (0.64) CYP1A2ANPEP
SCHEMBL8903502 0.80 TSHR (0.49) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL9613415 0.80 CNR2 (0.49) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL18085413 0.79 SMN1; SMN2 (0.55) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL19656196 0.79 TSHR (0.45) TSHRCYP1A2SMN1; SMN2MEN1HTT

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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO TSHR 3526/4885CYP1A2 3371/4885SMN1; SMN2 1774/4885

“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.