SCHEMBL2334446

SCHEMBL2334446

CCCCCC(O)c1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 1/20 0.40
HCAR3 P49019 2/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR1 P03372 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1B1 P15121 1/20 0.38

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
SCHEMBL9679025 0.89 HTT (0.40) HTTTP53MAPTCA1CA2
SCHEMBL9026367 0.83 ALDH1A1 (0.44) HTTTP53MAPTCA1CA2
SCHEMBL9676736 0.79 ALDH1A1 (0.44) HTTTP53MAPTCA1CA2
SCHEMBL18691753 0.78 HCAR3 (0.41) MAPTGAAHCAR3ALDH1A1HPGD
SCHEMBL14996208 0.78 CA1 (0.49) HTTTP53MAPTCA1CA2
SCHEMBL9676766 0.77 HTT (0.44) HTTTP53MAPTCA1CA2
SCHEMBL9678240 0.76 ESR1 (0.43) HTTTP53MAPTCA1CA2
SCHEMBL9678182 0.76 ESR1 (0.43) HTTTP53MAPTCA1CA2
SCHEMBL9679692 0.76 ESR1 (0.43) HTTTP53MAPTCA1CA2
SCHEMBL8646438 0.76 ESR1 (0.43) HTTTP53MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011924-B Photoalignment materials with side substitution 罗利克有限公司 2021-06-01 CN disclosed
EP-2534191-B1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC TECH AG (CH) 2020-04-15 EP disclosed
EP-2534191-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION Rolic AG (CH) 2012-12-19 EP disclosed
US-20120316317-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC AG (CH) 2012-12-13 US disclosed
WO-2011098461-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC AG (CH) 2011-08-18 WO 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-20120316317-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION LATS1, LATS2, LCP1 HTT 644/4885TP53 1255/4885MAPT 440/4885

“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.