SCHEMBL24630680

SCHEMBL24630680

CC(C)(C)Cc1cncc(CC(C)(C)Cc2ccncc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
FDPS P14324 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 0.32
BRS3 P32247 1/20 0.31
GAA P10253 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL22403785 0.86 SLC6A2 (0.42) ESR1FDPSCYP3A4CYP1A2CYP2D6
SCHEMBL10223951 0.82 ESR1 (0.41) ESR1FDPSTHRATHRBTBXAS1
SCHEMBL73475 0.82 ESR1 (0.52) ESR1FDPSLOXL2CYP3A4ALDH1A1
SCHEMBL21157383 0.77 FDPS (0.35) ESR1FDPSLOXL2CYP3A4ALDH1A1
SCHEMBL18675305 0.77 ESR1 (0.38) ESR1FDPSCYP3A4BRS3THRA
SCHEMBL21316558 0.75 ESR1 (0.35) ESR1ALDH1A1
SCHEMBL21156480 0.75 CYP11B1 (0.36) ESR1FDPSLOXL2CYP3A4ALDH1A1
SCHEMBL19383796 0.74 CYP3A4 (0.41) FDPSCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8362815 0.72 BRS3 (0.45) FDPSLOXL2CYP3A4ALDH1A1CYP1A2
SCHEMBL24919610 0.72 LOXL2 (0.35) ESR1FDPSLOXL2CYP3A4ALDH1A1

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-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 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-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 ESR1 2371/4885FDPS 381/4885LOXL2 1058/4885

“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.