SCHEMBL20242000

SCHEMBL20242000

COC(=O)C1(c2ccccc2)CC12CCC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
AKR1C1 Q04828 1/20 0.40
HDAC4 P56524 2/20 0.39
CHRM3 P20309 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL20241966 0.97 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1AKR1C1
SCHEMBL20241978 0.81 AKR1C1 (0.50) MEN1KMT2AHTTL3MBTL1AKR1C1
SCHEMBL20241661 0.78 AKR1C1 (0.55) MEN1KMT2AHTTAKR1C1HDAC4
SCHEMBL20242049 0.78 AKR1C1 (0.55) MEN1KMT2AHTTAKR1C1HDAC4
SCHEMBL20241840 0.78 AKR1C1 (0.55) MEN1KMT2AHTTAKR1C1HDAC4
SCHEMBL2481767 0.76 AKR1C1 (0.58) MEN1KMT2AHTTL3MBTL1AKR1C1
SCHEMBL20241936 0.73 MEN1 (0.54) MEN1KMT2AHTT
SCHEMBL1041983 0.73 AKR1C1 (0.63) MEN1KMT2AHTTL3MBTL1AKR1C1
SCHEMBL349195 0.72 MEN1 (0.56) MEN1KMT2AHTTL3MBTL1AKR1C1
SCHEMBL1042365 0.71 HDAC4 (0.62) MEN1KMT2AHTTL3MBTL1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS VERTEX PHARMACEUTICALS INCORPORATED 2018-09-06 US disclosed
WO-2018107056-A1 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed
WO-2018107056-A1 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO 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-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS HSD17B4, CPT1A, ADH1A MEN1 1899/4885KMT2A 2360/4885HTT 3840/4885

“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.