SCHEMBL2552200

SCHEMBL2552200

CCOC(=O)C(CN1CCCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MITF O75030 3/20 0.62
RAB9A P51151 2/20 0.62
PAX8 Q06710 2/20 0.62
HTT P42858 1/20 0.62
GFER P55789 1/20 0.62
ATM Q13315 1/20 0.62
LMNA P02545 2/20 0.60
HIF1A Q16665 1/20 0.60
MAPT P10636 1/20 0.57
NLRP1 Q9C000 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.56
KDM4E B2RXH2 3/20 0.54
NTSR1 P30989 1/20 0.54
TSHR P16473 2/20 0.51
OPRK1 P41145 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL2552921 0.98 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MITFRAB9APAX8
SCHEMBL30771327 0.88 GAA (0.57) ALDH1A1SMN1; SMN2MITFRAB9APAX8
SCHEMBL10502713 0.87 GAA (0.52) ALDH1A1SMN1; SMN2MITFRAB9APAX8
SCHEMBL2551775 0.87 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2MITFPAX8HTT
SCHEMBL1683001 0.85 LMNA (0.64) ALDH1A1SMN1; SMN2MITFRAB9APAX8
SCHEMBL17616735 0.83 MITF (0.68) ALDH1A1SMN1; SMN2MITFRAB9APAX8
SCHEMBL4207828 0.83 KDM4E (0.49) ALDH1A1SMN1; SMN2MITFRAB9APAX8
SCHEMBL21807155 0.82 GAA (0.50) ALDH1A1SMN1; SMN2MITFRAB9APAX8
SCHEMBL7592795 0.82 MITF (0.71) ALDH1A1SMN1; SMN2MITFRAB9APAX8
SCHEMBL12282101 0.82 MITF (0.71) ALDH1A1SMN1; SMN2MITFRAB9APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457693-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-29 US disclosed
US-20190031688-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-31 US disclosed
US-9512147-B2 Organoboron compounds and methods of making organoboron compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-24 US disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 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 (3 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-20160083402-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 ALDH1A1 1921/4885SMN1; SMN2 1952/4885MITF 3166/4885
US-10457693-B2 Organoboron compounds and methods of making organoboron compounds NDC1, ELOC, UGT2B7 ALDH1A1 1921/4885SMN1; SMN2 1952/4885MITF 3166/4885
US-20190031688-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 ALDH1A1 1921/4885SMN1; SMN2 1952/4885MITF 3166/4885

“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.