SCHEMBL5950355

SCHEMBL5950355

COC(=O)[C@H](C)Nc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.44
GPR35 Q9HC97 1/20 0.44
GLA P06280 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL24202566 0.87 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL27385695 0.87 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL24202568 0.87 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1653800 0.86 ALDH1A1 (0.54) ALDH1A1TSHRGPR35GLAKMT2A
Hydrochloric Acid SCHEMBL10522516 0.86 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL10974753 0.86 ALDH1A1 (0.54) ALDH1A1TSHRGPR35GLAKMT2A
SCHEMBL14734358 0.85 MEN1 (0.52) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL25376789 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL15532063 0.81 TSHR (0.53) ALDH1A1TSHRGPR35KMT2AMEN1
SCHEMBL1653885 0.78 ALDH1A1 (0.55) ALDH1A1TSHRGPR35GLAPOLB

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-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths OPTIMER PHOTONICS, INC. 2006-05-18 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-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths EYA2, CRY2, EYA3 ALDH1A1 1560/4885TSHR 4278/4885GPR35 4238/4885

“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.