SCHEMBL4501500

SCHEMBL4501500

O=C1C=C(O)C2(CCCCC2)O1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ALDH1A1 P00352 14/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 1/20 0.50
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6113462 1.00 POLB (0.55) POLBALDH1A1KMT2AHPGDLMNA
SCHEMBL6125453 0.98 POLB (0.52) POLBALDH1A1KMT2AHPGDLMNA
SCHEMBL6113650 0.89
SCHEMBL6113435 0.82 ALDH1A1 (0.44) POLBALDH1A1KMT2AHPGDLMNA
SCHEMBL6113570 0.80 ALDH1A1 (0.43) POLBALDH1A1KMT2AHPGDLMNA
SCHEMBL31120358 0.75 POLB (0.59) POLBALDH1A1KMT2AHPGDLMNA
SCHEMBL3726927 0.69 ALDH1A1 (1.00) POLBALDH1A1KMT2AHPGDLMNA
SCHEMBL3726934 0.69 ALDH1A1 (1.00) POLBALDH1A1KMT2AHPGDLMNA
SCHEMBL3723160 0.69 ALDH1A1 (1.00) POLBALDH1A1KMT2AHPGDLMNA
SCHEMBL13928854 0.69 SMN1; SMN2 (0.50) POLBALDH1A1KMT2AHPGDLMNA

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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 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 (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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 POLB 1411/4885ALDH1A1 723/4885KMT2A 1131/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 POLB 2220/4885ALDH1A1 766/4885KMT2A 1209/4885
US-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 POLB 2658/4885ALDH1A1 477/4885KMT2A 2349/4885

“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.