SCHEMBL22097616

SCHEMBL22097616

O=C(O)c1ccc(C(=O)O)c(NC2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.61
HDAC8 Q9BY41 1/20 0.50
CISD1 Q9NZ45 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
CREBBP Q92793 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 2/20 0.46
CSNK2A2 P19784 1/20 0.44

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
SCHEMBL22097712 0.98 HCAR3 (0.59) HCAR3HDAC8CISD1CA12CA1
SCHEMBL2426534 0.89 HCAR3 (0.57) HCAR3HDAC8CISD1CA12CA1
SCHEMBL27972969 0.89 HCAR3 (0.50) HCAR3HDAC8CISD1CA12CA1
SCHEMBL2424448 0.88 HCAR3 (0.56) HCAR3HDAC8CISD1CA12CA1
SCHEMBL2426793 0.86 HCAR3 (0.57) HCAR3HDAC8CISD1CA12CA1
SCHEMBL27972805 0.86 HCAR3 (0.50) HCAR3HDAC8CISD1CA12CA1
SCHEMBL32660050 0.85 HCAR3 (0.67) HCAR3HDAC8CREBBPMEN1KMT2A
SCHEMBL32660011 0.85 HCAR3 (0.67) HCAR3HDAC8CREBBPMEN1KMT2A
SCHEMBL495805 0.83 TSHR (0.54) CISD1CA12CA1CA2CA3
SCHEMBL2426799 0.83 HCAR3 (0.55) HCAR3CA1CA2CA3CA6

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 4531/4885HDAC8 4199/4885CISD1 246/4885
US-20200188896-A1 PHOTO-REDOX TITANIUM CONTAINING ORGANIC FRAMEWORKS AND METHODS OF MAKING AND USE THEREOF PPOX, PPIF, CYBB HCAR3 4531/4885HDAC8 4199/4885CISD1 246/4885

“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.