SCHEMBL7285341

SCHEMBL7285341

O=C(O)Cc1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
TDP1 Q9NUW8 3/20 0.63
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 6/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 2/20 0.55
CYP3A4 P08684 2/20 0.55
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.51
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL11103500 0.98 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL11103504 0.98 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL7382047 0.87 ALDH1A1 (0.61) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL11103501 0.86 ALDH1A1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL5462907 0.85 ALDH1A1 (0.67) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL10596239 0.85 ALDH1A1 (0.67) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL8839214 0.85 ALDH1A1 (0.67) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL2720454 0.85 ALDH1A1 (0.67) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL13469252 0.85 ALDH1A1 (0.67) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL29388715 0.84 ALDH1A1 (0.89) ALDH1A1TDP1SLC6A2SLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 US disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP 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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 ALDH1A1 2796/4885TDP1 4821/4885SLC6A2 1643/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 ALDH1A1 2796/4885TDP1 4821/4885SLC6A2 1643/4885

“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.