SCHEMBL8976097

SCHEMBL8976097

CC(C)(C)C(O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SHBG P04278 1/20 0.39
EPHX1 P07099 3/20 0.36
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
UGT2B7 P16662 2/20 0.33
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 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
SCHEMBL14443275 1.00 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL14443274 1.00 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL16230728 0.97 TP53 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL10104528 0.97 TP53 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL16230660 0.97 TP53 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL16805015 0.92 UGT2B7 (0.33) TP53KDM4EGMNNLMNAMAPT
SCHEMBL3416717 0.86
SCHEMBL11911962 0.86
SCHEMBL9221102 0.82 TP53 (0.39) TP53KDM4EGMNNLMNAMAPT
SCHEMBL28922673 0.78 TP53 (0.37) TP53KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 US disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
WO-2010111059-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
US-20090198024-A1 FORMALDEHYDE-FREE, CARBONYL- AND RING-HYDROGENATED KETONE-ALDEHYDE RESINS BASED ON ALKYL ARYL KETONES AND FORMALDEHYDE WHICH HAVE A LOW OH FUNCTIONALITY AND A PROCESS FOR PREPARING THEM EVONIK DEGUSSA GMBH (DE) 2009-08-06 US disclosed
US-20090099332-A1 FORMALDEHYDE-FREE, OH-FUNCTIONAL, CARBONYL- AND RING-HYDROGENATED KETONE-ALDEHYDE RESINS BASED ON ALKYL ARYL KETONES AND FORMALDEHYDE AND A PROCESS FOR PREPARING THEM EVONIK DEGUSSA GMBH (DE) 2009-04-16 US disclosed
EP-0514332-B1 Bis-phosphites CIBA GEIGY AG (CH) 1996-04-17 EP disclosed
US-5308902-A Heterocyclic fused ring structures, stabilizers for PVC and polyolefins CIBA-GEIGY CORPORATION (US) 1994-05-03 US disclosed
EP-0514332-A1 Bis-phosphites CIBA-GEIGY AG (CH) 1992-11-19 EP 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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TP53 4666/4885KDM4E 3919/4885GMNN 4597/4885
US-20170112785-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT TP53 894/4885KDM4E 2099/4885GMNN 3363/4885

“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.