SCHEMBL13043499

SCHEMBL13043499

CCOC(CBr)Oc1c(OC)ccc(C=O)c1-c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 1/20 0.34
ERN1 O75460 5/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL14980271 0.91 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNAMAPTERN1
SCHEMBL3744230 0.85 ERN1 (0.33) ALDH1A1ERN1
SCHEMBL3754539 0.84 PREP (0.35) ALDH1A1ERN1
SCHEMBL13079249 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNAMAPTERN1
SCHEMBL13078743 0.75 PREP (0.35) ALDH1A1ERN1
SCHEMBL13079722 0.74 ERN1 (0.33) ALDH1A1ERN1
SCHEMBL13043498 0.69 ERN1 (0.50) ERN1
SCHEMBL28803580 0.67 ALDH1A1 (0.53) ALDH1A1LMNAMAPTERN1CYP1A2
SCHEMBL7922716 0.65 ERN1 (0.53) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL12816057 0.65 ALDH1A1 (0.40) ALDH1A1L3MBTL1LMNAERN1CYP1A2

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-8450365-B2 Efficient synthesis of galanthamine BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-28 US disclosed
US-8362283-B2 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-8293927-B2 Efficient synthesis of morphine and codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-23 US disclosed
US-20100292466-A1 Efficient Synthesis Of Galanthamine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 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 (3 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-20100292466-A1 Efficient Synthesis Of Galanthamine GALR2, GALR1, OPRK1 ALDH1A1 1200/4885L3MBTL1 1475/4885LMNA 4169/4885
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods OPRK1, GALR2, OPRM1 ALDH1A1 596/4885L3MBTL1 2407/4885LMNA 3681/4885
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine OPRK1, OPRM1, OPRL1 ALDH1A1 1044/4885L3MBTL1 1198/4885LMNA 4239/4885

“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.