SCHEMBL20241978

SCHEMBL20241978

O=C(O)C1(c2ccccc2)CC12CCC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.50
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HDAC4 P56524 2/20 0.41
HSD11B1 P28845 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL20242049 0.96 AKR1C1 (0.55) AKR1C1MEN1KMT2AHDAC4HSD11B1
SCHEMBL20241840 0.96 AKR1C1 (0.55) AKR1C1MEN1KMT2AHDAC4HSD11B1
SCHEMBL20241661 0.96 AKR1C1 (0.55) AKR1C1MEN1KMT2AHDAC4HSD11B1
SCHEMBL4639318 0.84 AKR1C1 (0.57) AKR1C1MEN1KMT2AHDAC4HSD11B1
SCHEMBL20242000 0.81 MEN1 (0.51) AKR1C1MEN1KMT2AHDAC4HSD11B1
SCHEMBL4639100 0.79 AKR1C1 (0.63) AKR1C1MEN1KMT2AHDAC4HSD11B1
SCHEMBL7602755 0.79 AKR1C1 (0.50) AKR1C1MEN1KMT2AHDAC4HTT
SCHEMBL4639359 0.79 AKR1C1 (0.56) AKR1C1MEN1KMT2AHDAC4HSD11B1
SCHEMBL20241966 0.78 MEN1 (0.51) AKR1C1MEN1KMT2AHDAC4HTT
SCHEMBL5129613 0.75 AKR1C1 (0.47) AKR1C1MEN1KMT2AHDAC4HTT

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 AKR1C1 19/4885MEN1 1899/4885KMT2A 2360/4885

“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.