SCHEMBL24372730

SCHEMBL24372730

CC1(C)c2ccccc2-c2ccc(N(c3ccc(CCCCCS)cc3)c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ STAT3 P40763 2/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ RARB P10826 6/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RARA P10276 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TAAR1 Q96RJ0 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
SCHEMBL24372587 0.96 TAAR1 (0.33) HSD11B1TAAR1
SCHEMBL25866833 0.87 HSD11B1 (0.39) HSD11B1STAT3GPR3RARBMEN1
SCHEMBL14004029 0.86 PDK2 (0.42) HSD11B1STAT3MEN1ALDH1A1MAPT
SCHEMBL14004037 0.86 PDK2 (0.42) HSD11B1STAT3MEN1ALDH1A1MAPT
SCHEMBL24372726 0.86 FOLH1 (0.35) TAAR1
SCHEMBL25866841 0.86 HSD11B1 (0.39) HSD11B1STAT3GPR3RARBMEN1
SCHEMBL24372735 0.85 MGLL (0.35) HDAC1HDAC2STAT3RARB
SCHEMBL24372554 0.85 S1PR3 (0.41) HDAC1HDAC2
SCHEMBL26226736 0.84 GPR3 (0.39) HSD11B1STAT3GPR3RARBMEN1
SCHEMBL25866855 0.84 GPR3 (0.39) HSD11B1STAT3GPR3RARBALDH1A1

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-20220127286-A1 LIGANDS FOR NANO-SIZED MATERIALS MERCK PATENT GMBH (DE) 2022-04-28 — — 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-20220127286-A1 LIGANDS FOR NANO-SIZED MATERIALS L1CAM, EPCAM, SELPLG HSD11B1 4864/4885HDAC1 4342/4885HDAC2 4617/4885

“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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