SCHEMBL1709285

SCHEMBL1709285

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
PRSS1 P07477 2/20 0.48
CTSG P08311 2/20 0.48
CTRB1 P17538 2/20 0.48
CMA1 P23946 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL13481207 0.84 TSHR (0.57) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL1709296 0.83 CYP1A2 (0.46) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL1705697 0.81 TSHR (0.50) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL1703204 0.81 TSHR (0.50) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL9160111 0.81 TSHR (0.50) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL8903502 0.77 TSHR (0.49) TSHRPRSS1CTSGCTRB1CMA1
SCHEMBL9613415 0.77 CNR2 (0.49) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL1709304 0.76 CA1 (0.46) TSHRKMT2AALDH1A1
SCHEMBL1709334 0.76 TSHR (0.47) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL1709301 0.76 TSHR (0.47) TSHRSMN1; SMN2KMT2AMEN1HTT

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 3526/4885PRSS1 3517/4885CTSG 674/4885

“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.