SCHEMBL2334747

SCHEMBL2334747

CCOC(C)OCC.COc1ccc(CC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
SLC6A4 P31645 1/20 0.43
LDHA P00338 1/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 2/20 0.40
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CMA1 P23946 1/20 0.39
FFAR1 O14842 1/20 0.38
AGXT P21549 1/20 0.38
LTA4H P09960 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
SCHEMBL190915 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL5648390 0.82 PPARG (0.44) ALDH1A1SMN1; SMN2TSHRLMNACYP2A6
Anisaldehyde SCHEMBL12503524 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
Anisaldehyde SCHEMBL9139931 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
Phenylacetaldehyde SCHEMBL452558 0.81 LMNA (0.44) SMN1; SMN2TP53TSHRSLC6A4HTT
SCHEMBL19287149 0.78 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL4457868 0.78 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
Phenylacetaldehyde SCHEMBL1412189 0.78 LMNA (0.41) SMN1; SMN2TP53TSHRSLC6A4HTT
Phenylacetaldehyde SCHEMBL10892064 0.75 LMNA (0.39) ALDH1A1SMN1; SMN2CYP3A4TSHRHTT
Anisole SCHEMBL19371241 0.74 CA4 (0.58) ALDH1A1LMNALTA4HTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA LIMITED (IL) 2013-02-21 US disclosed
EP-2533636-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-19 EP disclosed
WO-2011099010-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA HOLDINGS (CYPRUS) LIMITED (CY) 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-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 ALDH1A1 1830/4885SMN1; SMN2 2488/4885TP53 4370/4885

“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.