SCHEMBL20997581

SCHEMBL20997581

CC(C)CC(=O)N1CCC(C(C)CCC(C)C(=O)N2CCC(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ EPHX2 P34913 3/20 0.36

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
SCHEMBL21677057 0.91 POLB (0.42) POLBNPSR1L3MBTL1SMN1; SMN2PTPN1
SCHEMBL12197944 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL20192242 0.77 PTPN1 (0.44) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL19431618 0.75 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL18731194 0.75 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL16368739 0.73 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANPC1DPP4
SCHEMBL16435174 0.73 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANPC1DPP4
SCHEMBL12384441 0.73 POLB (0.56) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL25091884 0.72 JAK2 (0.37) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL17471229 0.70 POLB (0.49) ALDH1A1MEN1KMT2APOLBNPSR1

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-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 — — 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-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA ALDH1A1 576/4885MEN1 3968/4885KMT2A 1687/4885

“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.

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