SCHEMBL16367406

SCHEMBL16367406

CCC(O)C(O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 2/20 0.43
MAPT P10636 1/20 0.43
EPHX1 P07099 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL15610778 0.84 TSHR (0.50) TSHRLOXL2ALDH1A1CYP2C19MEN1
SCHEMBL19342847 0.84 KMT2A (0.50) TSHRLOXL2ALDH1A1CYP2C19MEN1
SCHEMBL28906676 0.84 TSHR (0.50) TSHRLOXL2ALDH1A1CYP2C19MEN1
SCHEMBL10621456 0.84 LMNA (0.50) TSHRLOXL2ALDH1A1CYP2C19MEN1
SCHEMBL16367419 0.84 TSHR (0.50) TSHRLOXL2ALDH1A1CYP2C19MEN1
SCHEMBL1625876 0.80 MEN1 (0.56) TSHRLOXL2ALDH1A1CYP2C19MEN1
SCHEMBL1625885 0.80 MEN1 (0.56) TSHRLOXL2ALDH1A1CYP2C19MEN1
SCHEMBL18071831 0.80 LOXL2 (0.52) TSHRLOXL2ALDH1A1CYP2C19MEN1
SCHEMBL1625595 0.80 MEN1 (0.56) TSHRLOXL2ALDH1A1CYP2C19MEN1
SCHEMBL1023274 0.80 TSHR (0.57) TSHRLOXL2ALDH1A1CYP2C19MEN1

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB TSHR 1808/4885LOXL2 895/4885ALDH1A1 140/4885

“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.