SCHEMBL3143352

SCHEMBL3143352

CN1CCC2(CCN(OCc3ccc(O)c(C(C)(C)C)c3)CC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 6/20 0.35
HSP90AB1 P08238 6/20 0.35
LTA4H P09960 2/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 4/20 0.33
THRB P10828 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL3143354 0.81 ATM (0.43) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL384122 0.74 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL2564784 0.66 ALDH1A1 (0.57) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL15396045 0.65 ALDH1A1 (0.55) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL932909 0.64 ALDH1A1 (0.50) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL28878410 0.64 ALDH1A1 (0.50) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL27102396 0.64 ALDH1A1 (0.50) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL11809725 0.64 ALDH1A1 (0.53) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL5155008 0.64 ALDH1A1 (0.48) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL7941367 0.62 ALDH1A1 (0.47) ALDH1A1LMNAHTTNR1I2CYP2C9

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-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 CHESSARI GIANNI 2010-08-26 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-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ALDH1A1 2150/4885LMNA 4208/4885HTT 153/4885

“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.