SCHEMBL12869752

SCHEMBL12869752

CC(=O)[C@H](C)CCCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.58
LMNA P02545 1/20 0.43
CA1 P00915 4/20 0.39
PTPN1 P18031 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KISS1R Q969F8 1/20 0.36
KDM1A O60341 1/20 0.36
KDM4C Q9H3R0 2/20 0.33
LTA4H P09960 1/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL12869753 1.00 BLM (0.58) BLMLMNACA1PTPN1ALDH1A1
SCHEMBL997621 1.00 BLM (0.58) BLMLMNACA1PTPN1ALDH1A1
SCHEMBL1781111 0.95 BLM (0.52) BLMLMNACA1PTPN1ALDH1A1
SCHEMBL12153331 0.86 CA1 (0.48) BLMCA1ALDH1A1TDP1KISS1R
SCHEMBL1784505 0.83 BLM (0.44) BLMCA1ALDH1A1TDP1KISS1R
SCHEMBL12153332 0.83 CA1 (0.46) BLMCA1LTA4H
SCHEMBL13410354 0.80 GABRR1 (0.46) BLMCA1ALDH1A1TDP1LTA4H
SCHEMBL12410220 0.79
SCHEMBL7546267 0.79
SCHEMBL20489993 0.79 BLM (0.58) BLMLMNACA1PTPN1KDM1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
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
US-7825269-B2 Ligands for nematode nuclear receptors and uses thereof BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-02 US disclosed
US-20070219173-A1 LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2007-09-20 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 (5 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 BLM 3717/4885LMNA 1603/4885CA1 4722/4885
US-20070219173-A1 LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF NR1H2, NR4A1, NR0B1 BLM 3200/4885LMNA 1208/4885CA1 4855/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH BLM 4123/4885LMNA 2135/4885CA1 4847/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH BLM 4123/4885LMNA 2135/4885CA1 4847/4885
US-20110028443-A1 LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF NR4A1, NR0B1, NR1H2 BLM 3717/4885LMNA 1603/4885CA1 4722/4885

“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.