SCHEMBL12371073

SCHEMBL12371073

CC(=O)Cn1c(C)cc2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 1/20 0.45
PRMT5 O14744 1/20 0.44
CCR2 P41597 1/20 0.41
TP53 P04637 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2B Q13224 3/20 0.39
LMNA P02545 3/20 0.39
KRAS P01116 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL2591249 0.88 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDPRMT5
SCHEMBL1422093 0.84 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10HPGDPRMT5
SCHEMBL1598783 0.82 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL27544474 0.81 TSHR (0.43) KDM4EALDH1A1HSD17B10HPGDPRMT5
SCHEMBL21031894 0.80 CACNA1B (0.46) KDM4EALDH1A1HSD17B10HPGDPRMT5
SCHEMBL27645779 0.79 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDPRMT5
SCHEMBL19506933 0.78 PRMT5 (0.45) KDM4EALDH1A1HSD17B10HPGDPRMT5
SCHEMBL12580665 0.76 PRMT5 (0.44) KDM4EALDH1A1HSD17B10HPGDPRMT5
SCHEMBL16234651 0.76 HTR2C (0.55) KDM4EALDH1A1HSD17B10HPGDPRMT5
SCHEMBL13640280 0.76 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10HPGDPRMT5

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-7999119-B2 Compounds having CRTH2 antagonist activity OXAGEN LIMITED (GB) 2011-08-16 US disclosed
US-20100035956-A1 Compounds Having CRTH2 Antagonist Activity OXAGEN LIMITED (GB) 2010-02-11 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-20100035956-A1 Compounds Having CRTH2 Antagonist Activity HRH2, HRH1, HRH4 KDM4E 4194/4885ALDH1A1 1293/4885HSD17B10 634/4885

“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.