SCHEMBL735245

SCHEMBL735245

CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
KMT2A Q03164 2/20 0.72
KDM4E B2RXH2 1/20 0.72
POLB P06746 1/20 0.72
GRN P28799 3/20 0.62
SORT1 Q99523 3/20 0.62
CA2 P00918 3/20 0.53
CA1 P00915 3/20 0.53
ICMT O60725 1/20 0.52
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
ALOX5 P09917 1/20 0.47
FOLH1 Q04609 1/20 0.45
BCL2L1 Q07817 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
SCHEMBL452264 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL452263 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL7124555 0.89 KMT2A (0.58) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL457080 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL455428 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL455429 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL8964493 0.86 TAS1R3 (0.65) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL8964497 0.86 TAS1R3 (0.65) ALDH1A1KMT2AKDM4EPOLBGAA
SCHEMBL16684621 0.86 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EPOLBGRN
SCHEMBL28060524 0.85 ICMT (0.56) ALDH1A1KMT2AKDM4EPOLBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8137548-B2 Chelator-modified inorganic oxide particles ZIRCHROM SEPARATIONS, INC. (US) 2012-03-20 US disclosed
US-20050118409-A1 Chelator-modified inorganic oxide particles NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 US disclosed
WO-2005037397-A1 CHELATOR-MODIFIED INORGANIC OXIDE PARTICLES ZIRCHROM SEPARATIONS, INC. (US) 2005-04-28 WO disclosed
US-20030097002-A1 Enantioselective reactions using two-component chiral phase transfer catalysts in multiphasic systems THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-05-22 US disclosed
WO-2002092562-A2 ENANTIOSELECTIVE REACTIONS USING TWO-COMPONENT CHIRAL PHASE TRANSFER CATALYSTS IN MULTIPHASIC SYSTEMS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2002-11-21 WO disclosed
US-4668674-A ANTIULCER AGENTS DR. KARL THOMAE GMBH (DE) 1987-05-26 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-20030097002-A1 Enantioselective reactions using two-component chiral phase transfer catalysts in multiphasic systems COASY, MOGAT2, ICMT ALDH1A1 1743/4885KMT2A 468/4885KDM4E 3273/4885

“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.