SCHEMBL12869828

SCHEMBL12869828

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.60
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ USP2 O75604 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ DHCR24 Q15392 9/20 0.48
▸ TRPV1 Q8NER1 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ GPBAR1 Q8TDU6 3/20 0.41
▸ CDC25B P30305 1/20 0.38

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
SCHEMBL12869841 1.00 CYP3A4 (0.60) CYP3A4MEN1KMT2AALDH1A1USP2
SCHEMBL12869768 1.00 CYP3A4 (0.60) CYP3A4MEN1KMT2AALDH1A1USP2
SCHEMBL12869769 1.00 CYP3A4 (0.60) CYP3A4MEN1KMT2AALDH1A1USP2
SCHEMBL14412606 0.91 CYP3A4 (0.59) CYP3A4MEN1KMT2AALDH1A1USP2
SCHEMBL12869830 0.91 CYP3A4 (0.59) CYP3A4MEN1KMT2AALDH1A1USP2
SCHEMBL12869788 0.91 CYP3A4 (0.59) CYP3A4MEN1KMT2AALDH1A1USP2
SCHEMBL14412597 0.91 CYP3A4 (0.59) CYP3A4MEN1KMT2AALDH1A1USP2
SCHEMBL1032902 0.91 MEN1 (0.68) CYP3A4MEN1KMT2AALDH1A1USP2
SCHEMBL12869820 0.91 MEN1 (0.68) CYP3A4MEN1KMT2AALDH1A1USP2
SCHEMBL7797018 0.91 MEN1 (0.68) CYP3A4MEN1KMT2AALDH1A1USP2

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 CYP3A4 1706/4885MEN1 4618/4885KMT2A 2641/4885
US-20110028443-A1 LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF NR4A1, NR0B1, NR1H2 CYP3A4 1706/4885MEN1 4618/4885KMT2A 2641/4885

“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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