SCHEMBL3390980

SCHEMBL3390980

CC(c1ccc(C(=O)O)cc1)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
SRD5A2 P31213 1/20 0.47
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 1/20 0.45
KMT2A Q03164 2/20 0.44
FBP1 P09467 1/20 0.44
MEN1 O00255 1/20 0.44
HCAR3 P49019 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP6 P55212 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GRIA4 P48058 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
SCHEMBL17007854 0.80 POLB (0.50) TDP1TSHRKMT2AMEN1CA1
SCHEMBL27544454 0.80 TDP1 (0.55) TDP1SRD5A2TSHRTP53KMT2A
SCHEMBL4543337 0.78 ESR1 (0.50) TDP1FBP1
SCHEMBL20680909 0.77 KDM4E (0.45) TDP1TSHRKMT2AALDH1A1
SCHEMBL264411 0.77 KDM4E (0.45) TDP1TSHRKMT2AALDH1A1
SCHEMBL2577243 0.77 TDP1 (0.52) TDP1SRD5A2TSHRTP53KMT2A
4-Nitrobenzoic Acid SCHEMBL7727849 0.77 TDP1 (0.72) TDP1SRD5A2TSHRRXRARXRB
SCHEMBL17018447 0.75 ACHE (0.48) TDP1TSHRKMT2AFBP1ALDH1A1
SCHEMBL372015 0.74 TSHR (0.60) SRD5A2TSHRTP53RXRARXRB
SCHEMBL31192242 0.74 TSHR (0.60) SRD5A2TSHRTP53RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212375-B1 MODERATED REDUCTION REACTIONS FOR PRODUCING ARYLHYDROXYLAMINES MicroSi, Inc. (a Delaware corporation) (US) 1993-06-16 EP claimed
US-4723030-A ACID CATALYTIC HYDROGENATION OF NITROAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1988-02-02 US claimed
US-4709107-A Process for producing nitrones GENERAL ELECTRIC COMPANY (US) 1987-11-24 US claimed
EP-0212375-A1 Moderated reduction reactions for producing arylhydroxylamines MicroSi, Inc. (a Delaware corporation) (US) 1987-03-04 EP claimed
US-20100009269-A1 HOLOGRAPHIC RECORDING MEDIA GENERAL ELECTRIC COMPANY (US) 2010-01-14 US disclosed
US-20100010262-A1 COMPOSITIONS AND METHOD FOR MAKING THEREOF GENERAL ELECTRIC COMPANY (US) 2010-01-14 US disclosed
EP-0212375-B1 MODERATED REDUCTION REACTIONS FOR PRODUCING ARYLHYDROXYLAMINES MicroSi, Inc. (a Delaware corporation) (US) 1993-06-16 EP disclosed
US-4723030-A ACID CATALYTIC HYDROGENATION OF NITROAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1988-02-02 US disclosed
US-4709107-A Process for producing nitrones GENERAL ELECTRIC COMPANY (US) 1987-11-24 US disclosed
EP-0212375-A1 Moderated reduction reactions for producing arylhydroxylamines MicroSi, Inc. (a Delaware corporation) (US) 1987-03-04 EP 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-20100010262-A1 COMPOSITIONS AND METHOD FOR MAKING THEREOF C5, C1R, CBR3 TDP1 2905/4885SRD5A2 1677/4885TSHR 1150/4885

“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.