SCHEMBL1709296

SCHEMBL1709296

CCC(=O)[C@H](Cc1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPA1 O75762 2/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
POLB P06746 2/20 0.42
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
MDM2 Q00987 1/20 0.42
SLC15A1 P46059 1/20 0.41
CPA1 P15085 2/20 0.41
CPA3 P15088 2/20 0.41
FOLH1 Q04609 1/20 0.41
CPB1 P15086 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
SCHEMBL10272387 0.84 ESR1 (0.45) SLC7A5TAAR1BLM
SCHEMBL66965 0.83 CYP1A2 (0.55) CYP1A2NPC1RAB9ATRPA1ALPI
SCHEMBL15426321 0.83 CYP1A2 (0.55) CYP1A2NPC1RAB9ATRPA1ALPI
SCHEMBL1709285 0.83 TSHR (0.49) CYP1A2NPC1RAB9AMEN1CYP2C9
SCHEMBL19938005 0.83 EPHX2 (0.38) CYP1A2NPC1RAB9ABLM
SCHEMBL12650596 0.81 ALPI (0.50) CYP1A2NPC1RAB9ATRPA1ALPI
SCHEMBL20363221 0.81 ALPI (0.50) CYP1A2NPC1RAB9ATRPA1ALPI
SCHEMBL1709297 0.81 HTR2A (0.47) CYP1A2CPA1
SCHEMBL1706267 0.80 MAPT (0.49) CYP1A2NPC1RAB9ATRPA1ALPI
SCHEMBL1703264 0.80 MAPT (0.49) CYP1A2NPC1RAB9ATRPA1ALPI

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 CYP1A2 3371/4885NPC1 1968/4885RAB9A 2417/4885

“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.