SCHEMBL2993397

SCHEMBL2993397

Cc1cc(C)c(C2c3ccccc3N(CC(=O)O)c3ccccc32)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
CDC25A P30304 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
CCKBR P32239 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3373741 0.75 CA12 (0.53) CA12CA9MEN1KMT2ACDC25A
SCHEMBL29548009 0.75 ADRA2A (0.32) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28765836 0.74 SLC6A2 (0.31) MEN1KMT2AKDM4EALDH1A1
Perchlorate SCHEMBL30296132 0.71 HDAC4 (0.38) MEN1KMT2ASMN1; SMN2L3MBTL1TSHR
Perchlorate SCHEMBL31322477 0.71
SCHEMBL9618341 0.71 CA12 (0.65) CA12CA9MEN1KMT2AKDM4E
SCHEMBL10826562 0.71 CA12 (0.45) CA12CA9MEN1KMT2ACDC25A
SCHEMBL28383957 0.71 CHEK1 (0.36) MEN1KMT2ASMN1; SMN2L3MBTL1TSHR
SCHEMBL28450185 0.70
SCHEMBL19673997 0.68 CA12 (0.49) CA12CA9MEN1KMT2ACDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184818-A1 PHOTOSENSITIZERS FOR TARGETED PHOTODYNAMIC THERAPY THE GENERAL HOSPITAL CORPORATION (US) 2010-07-22 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-20100184818-A1 PHOTOSENSITIZERS FOR TARGETED PHOTODYNAMIC THERAPY PPOX, PPIF, HCCS CA12 328/4885CA9 618/4885CRHBP 3759/4885

“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.