SCHEMBL22887367

SCHEMBL22887367

Cc1cc(O)ccc1/C=C/c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.57
RARB P10826 2/20 0.57
RARG P13631 2/20 0.57
TTR P02766 3/20 0.50
LCK P06239 1/20 0.47
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
RAF1 P04049 1/20 0.43
APP P05067 2/20 0.43

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
SCHEMBL11824846 0.89 RARA (0.61) RARARARBRARGTTRMAPT
SCHEMBL11824841 0.89 RARA (0.61) RARARARBRARGTTRMAPT
SCHEMBL12796879 0.85 NPC1 (0.56) TTRLCKCA2CA12CA1
SCHEMBL5679409 0.85 NPC1 (0.56) TTRLCKCA2CA12CA1
SCHEMBL14156913 0.84 TYR (0.59) TTRLCKCA2CA12CA1
SCHEMBL14156911 0.84 TYR (0.59) TTRLCKCA2CA12CA1
SCHEMBL22887365 0.84 TTR (0.71) TTRLCKCA2CA12CA1
SCHEMBL14861035 0.82 TDP1 (0.56) RARARARBRARGCA2CA12
SCHEMBL13993018 0.82 TTR (0.56) TTRTYRAPPMAPTNPC1
SCHEMBL5693297 0.81 NPC1 (0.63) RARARARBRARGTTRLCK

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-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE UNIV INDIANA TRUSTEES (US) 2022-05-12 US disclosed
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE THE TRUSTEES OF INDIANA UNIVERSITY 2021-01-14 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-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT RARA 737/4885RARB 956/4885RARG 941/4885
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT RARA 737/4885RARB 956/4885RARG 941/4885

“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.