SCHEMBL4373422

SCHEMBL4373422

Cc1cccc(C(=O)OC(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 4/20 0.52
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 2/20 0.48
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.42
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL31014185 0.85 GPR35 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL31014187 0.85 GPR35 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL5133401 0.84 RAB9A (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL17707773 0.84 LMNA (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL1032670 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL17595640 0.80 KMT2A (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL4378724 0.80 NR1D1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL6656676 0.80 MEN1 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL9676578 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL27916053 0.79 TSHR (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 ALDH1A1 2078/4885MEN1 4099/4885KMT2A 4519/4885

“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.