SCHEMBL2925311

SCHEMBL2925311

Cc1cc(I)cc(C=O)c1O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.64
TTR P02766 1/20 0.41
PIM1 P11309 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8197373 0.88 ERN1 (0.51) ERN1CA1CA2ALDH1A1TSHR
SCHEMBL8233989 0.83 ERN1 (0.46) ERN1ALDH1A1
SCHEMBL20799740 0.79 TTR (0.41) ERN1TTRCA1CA2ALDH1A1
SCHEMBL29424939 0.78 ERN1 (1.00) ERN1TTRPIM1
SCHEMBL1527177 0.78 ERN1 (1.00) ERN1TTRPIM1
SCHEMBL2788053 0.78 ERN1 (0.78) ERN1PIM1CA1CA2ALDH1A1
SCHEMBL14876912 0.78 ERN1 (0.47) ERN1ALDH1A1TSHR
SCHEMBL29957335 0.78 ERN1 (0.78) ERN1PIM1CA1CA2ALDH1A1
SCHEMBL24170744 0.78 TTR (0.39) ERN1TTRCA1CA2
SCHEMBL5646596 0.77 ERN1 (0.56) ERN1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN disclosed
CN-101896473-A Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2010-11-24 CN disclosed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-5795560-A Targeting protein-diagnostic/therapeutic agent conjugates having Schiff base linkages NEORX CORPORATION (US) 1998-08-18 US disclosed
US-5633351-A Targeting protein-diagnostic/therapeutic agent conjugates having Schiff base linkages NEORX CORPORATION (US) 1997-05-27 US disclosed
US-5521290-A REACTION OF MALEIMIDE GROUPS OF BIFUNCTIONAL LINKING COMPOUNDS WITH MOLECULES TO BE LINKED, THEN REACTING REMAINING ALDEHYDE AND HYDRAZIDE GROUPS OF LINKING COMPOUNDS NEORX CORPORATION (US) 1996-05-28 US disclosed
EP-0434765-B1 TARGETING SUBSTANCE-DIAGNOSTIC/THERAPEUTIC AGENT CONJUGATES HAVING SCHIFF BASE LINKAGES NEORX CORP (US) 1995-11-08 EP disclosed
US-5349063-A Radiolabled diamines ALBERTA CANCER BOARD (CA) 1994-09-20 US disclosed
EP-0434765-A4 TARGETING SUBSTANCE-DIAGNOSTIC/THERAPEUTIC AGENT CONJUGATES HAVING SCHIFF BASE LINKAGES 1992-06-03 EP disclosed
US-5066789-A Targeting substance-diagnostic/therapeutic agent conjugates having Schiff base linkages NEORX CORPORATION (US) 1991-11-19 US disclosed
EP-0434765-A1 TARGETING SUBSTANCE-DIAGNOSTIC/THERAPEUTIC AGENT CONJUGATES HAVING SCHIFF BASE LINKAGES. NEORX CORP (US) 1991-07-03 EP disclosed
WO-1990003401-A1 TARGETING SUBSTANCE-DIAGNOSTIC/THERAPEUTIC AGENT CONJUGATES HAVING SCHIFF BASE LINKAGES NEORX CORPORATION (US) 1990-04-05 WO disclosed
US-4430319-A DIAGNOSIS, ISOTOPE EXCHANGING, CONTAINERS, SODIUM PHOSPHATE BUFFERS STATE UNIVERSITY OF NEW YORK (US) 1984-02-07 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ERN1 2423/4885TTR 3299/4885PIM1 3674/4885

“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.