SCHEMBL22871986

SCHEMBL22871986

CCC(C)(C)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 10/20 0.57
GSTM2 P28161 9/20 0.57
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 4/20 0.46
MIF P14174 1/20 0.45
USP2 O75604 2/20 0.45
G6PD P11413 1/20 0.45
CASP6 P55212 1/20 0.45

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
SCHEMBL1108120 0.84 GSTP1 (0.63) GSTP1GSTM2MEN1KMT2ANPC1
SCHEMBL7052057 0.79 GSTM2 (0.66) GSTP1GSTM2MEN1KMT2AALDH1A1
SCHEMBL10089701 0.76 GSTM2 (0.56) GSTP1GSTM2MEN1KMT2ANPC1
SCHEMBL20466174 0.75 GSTP1 (0.58) GSTP1GSTM2MEN1KMT2ANPC1
SCHEMBL2608494 0.74 GSTP1 (0.61) GSTP1GSTM2MEN1KMT2AIDO1
SCHEMBL3501548 0.74 MEN1 (0.60) GSTP1GSTM2MEN1KMT2ANPC1
SCHEMBL20470002 0.73 GSTP1 (0.50) GSTP1GSTM2MEN1KMT2ANPC1
SCHEMBL1896354 0.73 GSTP1 (0.56) GSTP1GSTM2MEN1KMT2AIDO1
SCHEMBL3500091 0.72 MEN1 (0.60) GSTP1GSTM2MEN1KMT2ANPC1
SCHEMBL1076589 0.72 MEN1 (0.60) GSTP1GSTM2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ACADEMIA SINICA (TW) 2021-01-12 US disclosed
US-9773953-B2 Organic phosphor-functionalized nanoparticles and compositions comprising the same RENSSELAER POLYTECHNIC INSTITUTE (US) 2017-09-26 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-10889611-B2 Sialyltransferase inhibitors and uses thereof ST6GAL1, NEU1, GALNT1 GSTP1 1766/4885GSTM2 1775/4885MEN1 4085/4885

“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.