SCHEMBL21090091

SCHEMBL21090091

CC(C)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.57
MME P08473 1/20 0.56
ACE P12821 1/20 0.56
ALOX15 P16050 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HIF1A Q16665 4/20 0.55
HSD17B10 Q99714 4/20 0.55
RECQL P46063 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
USP2 O75604 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
HTR2A P28223 2/20 0.55
PTGS2 P35354 2/20 0.55
LCK P06239 2/20 0.55
EGFR P00533 1/20 0.55
FYN P06241 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC7A5 Q01650 1/20 0.55
ALOX12 P18054 4/20 0.54
HPGD P15428 3/20 0.54

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
SCHEMBL22957012 1.00 KDM6B (0.57) KDM6BMMEACEALOX15KDM4E
SCHEMBL25453257 0.87 FOLH1 (0.67) KDM6BMMEACEALOX15KDM4E
SCHEMBL13254074 0.86 ALOX15 (0.53) KDM6BMMEACEALOX15KDM4E
SCHEMBL11575407 0.84 KDM6B (0.57) KDM6BMMEACEALOX15KDM4E
SCHEMBL11575402 0.84 KDM6B (0.57) KDM6BMMEACEALOX15KDM4E
SCHEMBL31189097 0.84 KDM6B (0.57) KDM6BMMEACEALOX15KDM4E
SCHEMBL679483 0.84 KDM6B (0.57) KDM6BMMEACEALOX15KDM4E
SCHEMBL2283369 0.84 KDM6B (0.60) KDM6BMMEACEALOX15KDM4E
SCHEMBL8470026 0.84 KDM6B (0.60) KDM6BMMEACEALOX15KDM4E
SCHEMBL34002 0.84 KDM6B (0.60) KDM6BMMEACEALOX15KDM4E

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-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome CELLIX BIO PRIVATE LIMITED (IN) 2021-08-03 US disclosed
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2019-06-13 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-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome SI, SLC10A2, ALPI KDM6B 4315/4885MME 4718/4885ACE 2770/4885
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 KDM6B 3273/4885MME 4816/4885ACE 2497/4885

“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.