SCHEMBL30829604

SCHEMBL30829604

Cc1cc(C(=O)O)cc2ccn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
PTPN7 P35236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
XDH P47989 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
NR4A1 P22736 1/20 0.40
TPMT P51580 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TTR P02766 1/20 0.37
TSHR P16473 1/20 0.37
RXRA P19793 1/20 0.36
GRM1 Q13255 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35

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
SCHEMBL28821494 0.81 TSHR (0.39) MYCESR1ALOX15PTPN7HSD17B10
SCHEMBL7926725 0.81 LMNA (0.40) HSD17B10XDHNR4A1TPMTMEN1
SCHEMBL7920908 0.81 TTR (0.44) ALOX15XDHNR4A1TPMTMEN1
SCHEMBL28265878 0.81 KDM4E (0.35) ALOX15XDHTSHRKDM4ETUBB4A
SCHEMBL20604827 0.80 CA12 (0.46) ESR1HSD17B10TSHRTDP1CYP1A2
SCHEMBL5068332 0.79 CA12 (0.50) HSD17B10TPMTTTRTSHRALDH1A1
SCHEMBL30790881 0.78 XDH (0.56) XDHMEN1KMT2AALDH1A1
SCHEMBL24448706 0.74 CYP3A4 (0.37) ESR1ALOX15XDHMEN1KMT2A
SCHEMBL120512 0.74 NOTUM (0.40) HSD17B10NR4A1TSHRRXRACYP1A2
SCHEMBL27580039 0.74 MEN1 (0.45) ALOX15HSD17B10RAPGEF4NR4A1TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109915-A1 NOVEL ACC INHIBITORS PFIZER INC. (US) 2024-04-04 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 (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-20240109915-A1 NOVEL ACC INHIBITORS CBR3, NAT1, ACACB MYC 1052/4885ESR1 1556/4885ALOX15 1092/4885

“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.