SCHEMBL22097623

SCHEMBL22097623

CC(C)Nc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.56
ACE2 Q9BYF1 2/20 0.49
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 4/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47
BCL2L1 Q07817 1/20 0.46
MYC P01106 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
KDM5A P29375 1/20 0.41

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
SCHEMBL2431092 0.88 HCAR3 (0.52) HCAR3ACE2BCL2L1KDM4ENPC1
SCHEMBL6187233 0.81 HCAR3 (0.55) HCAR3KDM4ENPC1ALDH1A1MAPT
SCHEMBL4583836 0.81 ACLY (0.54) HCAR3AKR1C3AKR1C2MYCADRB2
SCHEMBL2026958 0.79 HCAR3 (0.53) HCAR3ACE2AKR1C3AKR1C2AKR1B10
SCHEMBL2428418 0.79 HCAR3 (0.55) HCAR3ACE2BCL2L1KDM4ENPC1
SCHEMBL2429514 0.79 HCAR3 (0.55) HCAR3ACE2BCL2L1KDM4ENPC1
SCHEMBL2422623 0.79 HCAR3 (0.55) HCAR3ACE2BCL2L1KDM4ENPC1
SCHEMBL2617356 0.77 HCAR3 (0.59) HCAR3KDM4ENPC1ALDH1A1MAPT
SCHEMBL22938569 0.77 HCAR3 (0.59) HCAR3KDM4ENPC1ALDH1A1MAPT
SCHEMBL31473433 0.77 GAA (0.61) HCAR3KDM4ENPC1ALDH1A1MAPT

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-11786890-B2 Photo-redox titanium containing organic frameworks and methods of making and use thereof FLORIDA STATE UNIVERSITY (US) 2023-10-17 US disclosed
US-20200188896-A1 PHOTO-REDOX TITANIUM CONTAINING ORGANIC FRAMEWORKS AND METHODS OF MAKING AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2020-06-18 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 (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-11786890-B2 Photo-redox titanium containing organic frameworks and methods of making and use thereof PPOX, PPIF, CYBB HCAR3 4531/4885ACE2 4247/4885AKR1C3 3134/4885
US-20200188896-A1 PHOTO-REDOX TITANIUM CONTAINING ORGANIC FRAMEWORKS AND METHODS OF MAKING AND USE THEREOF PPOX, PPIF, CYBB HCAR3 4531/4885ACE2 4247/4885AKR1C3 3134/4885

“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.