SCHEMBL6691324

SCHEMBL6691324

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.46
TGM2 P21980 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1960513 0.82 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9137122 0.79 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8084818 0.78 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28372644 0.78 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5703968 0.78 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27298149 0.78 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4743348 0.77 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8003498 0.77 CA1 (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9300709 0.77 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28285992 0.77 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439943-A Non-steroid and non-prostanoid inhibitors of steroid and prostaglandin transforming enzymes TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-08-08 US claimed
US-5399790-A Non-steroid and non-prostanoid inhibitors of steroid and prostaglandin transforming enzymes TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-03-21 US claimed
US-5258296-A Non-steroid and non-prostanoid inhibitors of steroid and prostaglandin transfroming enzymes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-11-02 US claimed
US-5118621-A Non-steroidal suicide substrates of hydroxysteroid dehydrogenase UNIVERSITY OF PENNSYLVANIA (US) 1992-06-02 US claimed
EP-4359375-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY PHENYL COMPOUNDS McMaster University (CA) 2024-05-01 EP disclosed
WO-2022266765-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY PHENYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2022-12-29 WO disclosed
US-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation HU, LONGQIN 2004-10-28 US disclosed
US-5439943-A Non-steroid and non-prostanoid inhibitors of steroid and prostaglandin transforming enzymes TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-08-08 US disclosed
US-5439943-A Non-steroid and non-prostanoid inhibitors of steroid and prostaglandin transforming enzymes TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-08-08 US disclosed
US-5399790-A Non-steroid and non-prostanoid inhibitors of steroid and prostaglandin transforming enzymes TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-03-21 US disclosed
US-5399790-A Non-steroid and non-prostanoid inhibitors of steroid and prostaglandin transforming enzymes TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-03-21 US disclosed
US-5258296-A Non-steroid and non-prostanoid inhibitors of steroid and prostaglandin transfroming enzymes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-11-02 US disclosed
US-5258296-A Non-steroid and non-prostanoid inhibitors of steroid and prostaglandin transfroming enzymes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-11-02 US disclosed
US-5118621-A Non-steroidal suicide substrates of hydroxysteroid dehydrogenase UNIVERSITY OF PENNSYLVANIA (US) 1992-06-02 US disclosed
US-5118621-A Non-steroidal suicide substrates of hydroxysteroid dehydrogenase UNIVERSITY OF PENNSYLVANIA (US) 1992-06-02 US disclosed
EP-0422897-A2 Recovery of water-insoluble epoxy alcohols ARCO Chemical Technology, L.P. (US) 1991-04-17 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-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation MKI67, NME2, NTPCR ALDH1A1 2164/4885MAPT 4367/4885MEN1 1914/4885

“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.