SCHEMBL17158367

SCHEMBL17158367

Cc1cc(C=O)ccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.59
AKR1C2 P52895 2/20 0.59
UNG P13051 1/20 0.58
TRIM24 O15164 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
NR1H4 Q96RI1 2/20 0.50
DDT P30046 1/20 0.49
ERN1 O75460 3/20 0.48
TTR P02766 1/20 0.48
KMO O15229 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LTB4R Q15722 1/20 0.46
FOLH1 Q04609 2/20 0.45

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
SCHEMBL2561660 0.88 TRIM24 (0.63) AKR1C3AKR1C2UNGTRIM24TRIM33
SCHEMBL24197025 0.88 DHFR (0.47) AKR1C3AKR1C2UNGTRIM24TRIM33
SCHEMBL1347851 0.87 ERN1 (0.49) AKR1C3AKR1C2UNGTRIM24TRIM33
SCHEMBL6252539 0.84 AKR1C3 (0.68) AKR1C3AKR1C2NR1H4DDTKMO
SCHEMBL17158362 0.83 ALDH1A1 (0.56) UNGTRIM24TRIM33ERN1ALDH1A1
SCHEMBL11837965 0.81 ESR2 (0.53) TRIM24TRIM33TTRALDH1A1KDM4E
SCHEMBL28372111 0.81 AKR1C3 (0.63) AKR1C3AKR1C2NR1H4DDTKMO
SCHEMBL26680871 0.80 ESR2 (0.50) AKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL2562028 0.80 ALDH1A1 (0.56) AKR1C3AKR1C2UNGTRIM24TRIM33
SCHEMBL13038468 0.80 ALDH1A3 (0.42) AKR1C3AKR1C2ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522873-B2 Biphenyl derivative, pharmaceutically acceptable salt thereof, and methods for preventing or treating inflammatory diseases or autoimmune diseases DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-12-20 US disclosed
US-20150291509-A1 NOVEL BIPHENYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES COMPRISING THE SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-10-15 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-20150291509-A1 NOVEL BIPHENYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES COMPRISING THE SAME AS ACTIVE INGREDIENT CD47, MSR1, CD14 AKR1C3 1159/4885AKR1C2 1362/4885UNG 4815/4885

“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.