SCHEMBL8736581

SCHEMBL8736581

CCC(C)(C)c1ccc2c(c1)OCC(=O)N2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.47
CYP11B1 P15538 1/20 0.47
HTR1A P08908 4/20 0.43
HTR2C P28335 3/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
ALDH1A1 P00352 1/20 0.41
GABRA5 P31644 3/20 0.40
GABRA1 P14867 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL25629999 0.89 ALDH1A1 (0.50) CYP11B2CYP11B1HTR1APDE3BPDE3A
SCHEMBL24865360 0.86 GABRA5 (0.46) CYP11B2CYP11B1HTR1AHTR2CPDE3B
SCHEMBL762347 0.85 CYP11B2 (0.51) CYP11B2CYP11B1HTR1AHTR2CPDE3B
SCHEMBL13591353 0.77 NR1H2 (0.40) ALDH1A1NPC1LMNAMAPK1CASP3
SCHEMBL13406065 0.77 HTR1A (0.52) CYP11B2CYP11B1HTR1AHTR2CPDE3B
SCHEMBL30336271 0.75 GABRG2 (0.46) CYP11B2CYP11B1HTR1AHTR2CPDE3B
SCHEMBL24865349 0.75 GABRG2 (0.46) CYP11B2CYP11B1HTR1AHTR2CPDE3B
SCHEMBL8738573 0.74 CYP11B1 (0.45) CYP11B2CYP11B1ALDH1A1LMNAPOLB
SCHEMBL5985192 0.74 CYP11B2 (0.55) CYP11B2CYP11B1HTR1AHTR2CPDE3B
SCHEMBL762019 0.74 ALDH1A1 (0.61) CYP11B2CYP11B1HTR1APDE3BPDE3A

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-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 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-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 CYP11B2 1337/4885CYP11B1 1249/4885HTR1A 2180/4885

“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.