SCHEMBL2642731

SCHEMBL2642731

O=Cc1ccc(C=CCCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TBXAS1 P24557 1/20 0.43
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.41
RXRA P19793 1/20 0.41
PPARG P37231 1/20 0.41
OXER1 Q8TDS5 1/20 0.41
EGFR P00533 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL2642729 1.00 PAM (0.46) PAMALDH1A1TBXAS1KMT2ARAB9A
SCHEMBL9574442 0.85 AKR1B10 (0.52) PAMALDH1A1TBXAS1KMT2ARAB9A
SCHEMBL18979186 0.85 AKR1B10 (0.52) PAMALDH1A1TBXAS1KMT2ARAB9A
SCHEMBL666894 0.84 PAM (0.64) PAMALDH1A1TBXAS1MAPTHDAC3
SCHEMBL1231739 0.84 PAM (0.64) PAMALDH1A1TBXAS1MAPTHDAC3
SCHEMBL1232837 0.84 PAM (0.64) PAMALDH1A1TBXAS1MAPTHDAC3
SCHEMBL2664660 0.83 PAM (0.44) PAMALDH1A1TBXAS1KMT2ARAB9A
SCHEMBL727448 0.83 HSD11B1 (0.50) PAMALDH1A1TBXAS1KMT2ARAB9A
SCHEMBL727447 0.83 HSD11B1 (0.50) PAMALDH1A1TBXAS1KMT2ARAB9A
SCHEMBL13870216 0.83 KMT2A (0.62) PAMALDH1A1TBXAS1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509509-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-03-02 EP disclosed
US-20040116483-A1 Glucagon antagonists/inverse agonists BEHRENS CARSTEN (DK) 2004-06-17 US disclosed
WO-2003097619-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2003-11-27 WO disclosed
US-6649641-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-18 US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 US disclosed
EP-1345890-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-09-24 EP disclosed
US-20020187982-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2002-12-12 US disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 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 (2 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-20020187982-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR PAM 748/4885ALDH1A1 3770/4885TBXAS1 777/4885
US-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR PAM 748/4885ALDH1A1 3770/4885TBXAS1 777/4885

“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.