SCHEMBL22399985

SCHEMBL22399985

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC1COC(C)(C)O1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.54
PGR P06401 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
PTGS2 P35354 1/20 0.54
PDE4D Q08499 1/20 0.54
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9905956 1.00 NR1I2 (0.54) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL10597149 0.95 ALDH1A1 (0.56) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9905966 0.95 ALDH1A1 (0.56) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL16140067 0.95 ALDH1A1 (0.56) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9905964 0.93 NR1I2 (0.44) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL24625000 0.89 LPAR1 (0.53)
SCHEMBL9905957 0.87 LPAR1 (0.47)
SCHEMBL11086686 0.85 LPAR1 (0.56)
SCHEMBL16636964 0.85 LPAR1 (0.56)
SCHEMBL30257188 0.82 LPAR1 (0.51)

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-20220048850-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION CELLIX BIO PRIVATE LTD (IN) 2022-02-17 US disclosed
US-10774059-B2 Compositions and methods for the treatment of inflammation CELLIX BIO PRIVATE LIMITED (IN) 2020-09-15 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-20220048850-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION IL1B, IL36G, IL17A NR1I2 538/4885PGR 1809/4885ADORA3 1633/4885
US-10774059-B2 Compositions and methods for the treatment of inflammation IL1B, IL36G, IL17A NR1I2 538/4885PGR 1809/4885ADORA3 1633/4885

“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.