SCHEMBL15960261

SCHEMBL15960261

CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
MAPT P10636 1/20 0.74
HSD17B1 P14061 1/20 0.67
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
BCL2L1 Q07817 1/20 0.60
BAD Q92934 1/20 0.60
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
RXRA P19793 5/20 0.59
RXRB P28702 4/20 0.59
ALDH1A1 P00352 1/20 0.54
RXRG P48443 1/20 0.53
SRD5A2 P31213 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL1169167 1.00 SMN1; SMN2 (0.74) SMN1; SMN2MAPTHSD17B1HSD17B10MEN1
SCHEMBL13757206 0.93 MAPT (0.65) SMN1; SMN2MAPTHSD17B1HSD17B10MEN1
SCHEMBL18364483 0.93 MAPT (0.65) SMN1; SMN2MAPTHSD17B1HSD17B10MEN1
SCHEMBL211540 0.92 TSHR (0.71) SMN1; SMN2MAPTHSD17B1KMT2ATP53
Calcium SCHEMBL31268578 0.90 TSHR (0.67) SMN1; SMN2MAPTHSD17B1KMT2ATP53
Barium SCHEMBL31268595 0.90 TSHR (0.67) SMN1; SMN2MAPTHSD17B1KMT2ATP53
Water SCHEMBL29952082 0.90 TSHR (0.67) SMN1; SMN2MAPTHSD17B1KMT2ATP53
Potassium SCHEMBL31268570 0.90 TSHR (0.67) SMN1; SMN2MAPTHSD17B1KMT2ATP53
Acetic Acid SCHEMBL6439495 0.90 TSHR (0.67) SMN1; SMN2MAPTHSD17B1KMT2ATP53
Hydrogen Sulfide SCHEMBL28141612 0.90 TSHR (0.67) SMN1; SMN2MAPTHSD17B1KMT2ATP53

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-9353129-B2 Microporous coordination complex and method of making the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-05-31 US disclosed
US-20140234624-A1 MICROPOROUS COORDINATION COMPLEX AND METHOD OF MAKING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-21 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-20140234624-A1 MICROPOROUS COORDINATION COMPLEX AND METHOD OF MAKING THE SAME CTCF, PCBP1, FHIT SMN1; SMN2 4624/4885MAPT 2145/4885HSD17B1 4885/4885

“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.