SCHEMBL12869826

SCHEMBL12869826

CCC(C)CCC[C@@H](C)C1CCC2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.83
▸ KMT2A Q03164 2/20 0.83
▸ ALDH1A1 P00352 2/20 0.83
▸ USP2 O75604 1/20 0.83
▸ MAPT P10636 1/20 0.83
▸ ALOX15 P16050 1/20 0.83
▸ DHCR24 Q15392 11/20 0.72
▸ TRPV1 Q8NER1 1/20 0.63
▸ THRB P10828 1/20 0.47
▸ OSBP P22059 2/20 0.44
▸ RORC P51449 2/20 0.44
▸ NR1H3 Q13133 1/20 0.44

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
SCHEMBL2396787 1.00 MEN1 (0.83) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL12869831 0.92 MEN1 (0.83) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL28606202 0.91 USP2 (1.00) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL22099724 0.91 USP2 (1.00) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL5571689 0.91 USP2 (1.00) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL25035233 0.91 USP2 (1.00) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL187737 0.91 USP2 (1.00) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL1957035 0.91 USP2 (1.00) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL15529878 0.91 USP2 (1.00) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL14360754 0.91 USP2 (1.00) MEN1KMT2AALDH1A1USP2MAPT

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-20130137667-A1 LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF Board of Regents, Univesity of Texas System (US) 2013-05-30 — — US disclosed
US-20110028443-A1 LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2011-02-03 — — 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 (2 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-20130137667-A1 LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF NR4A1, NR0B1, NR1H2 MEN1 4618/4885KMT2A 2641/4885ALDH1A1 3377/4885
US-20110028443-A1 LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF NR4A1, NR0B1, NR1H2 MEN1 4618/4885KMT2A 2641/4885ALDH1A1 3377/4885

“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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