SCHEMBL4732428

SCHEMBL4732428

CCC(CC(C)=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.36

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
SCHEMBL27313023 1.00 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL12040127 1.00 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL14261124 0.80 SLC22A6 (0.38) TDP1TSHR
SCHEMBL15555383 0.80 SLC22A6 (0.38) TDP1TSHR
SCHEMBL15723572 0.79 PRKCA (0.33) ALDH1A1TDP1
SCHEMBL29809464 0.78 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL34473867 0.78 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL12707683 0.76 ALDH1A1 (0.39) ALDH1A1TDP1TSHR
SCHEMBL19574901 0.75 TSHR (0.36) TSHR
SCHEMBL16139255 0.73 MAPT (0.41) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107619386-B Aromatic ring [ c ] carbazole derivative and synthesis method thereof 湘潭大学 2020-10-13 CN disclosed
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2017-05-25 US disclosed
US-9593129-B2 Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer AMGEN, INC. (US) 2017-03-14 US disclosed
US-9499575-B2 Synthesis of carbohydrate-based surfactants THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-11-22 US disclosed
US-20160137667-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2016-05-19 US disclosed
US-9296736-B2 Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2016-03-29 US disclosed
US-20140315895-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2014-10-23 US disclosed
US-20140142287-A1 SYNTHESIS OF CARBOHYDRATE-BASED SURFACTANTS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-05-22 US disclosed
US-20140011796-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2014-01-09 US disclosed
US-8586569-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2013-11-19 US disclosed
US-8569341-B2 Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2013-10-29 US disclosed
US-20110319378-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2011-12-29 US disclosed
US-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES JEAN-CLAUDE LEUNIS (BE) 2009-03-12 US disclosed
WO-2008052831-A2 SOLID FORMALDEHYDE-FREE PIGMENT PREPARATIONS EVONIK DEGUSSA GMBH (DE) 2008-05-08 WO disclosed
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2008-02-28 US disclosed
WO-2007141090-A1 SOLID PIGMENT PREPARATIONS EVONIK DEGUSSA GMBH (DE) 2007-12-13 WO 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 (8 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-20140142287-A1 SYNTHESIS OF CARBOHYDRATE-BASED SURFACTANTS DDOST, UGCG, CSGALNACT1 ALDH1A1 4344/4885TDP1 3669/4885TSHR 2698/4885
US-20140011796-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A ALDH1A1 332/4885TDP1 1121/4885TSHR 4432/4885
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB ALDH1A1 820/4885TDP1 3114/4885TSHR 769/4885
US-20110319378-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A ALDH1A1 332/4885TDP1 1121/4885TSHR 4432/4885
US-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, PGGT1B, PAG1 ALDH1A1 3894/4885TDP1 3552/4885TSHR 3926/4885
US-20160137667-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A ALDH1A1 332/4885TDP1 1121/4885TSHR 4432/4885
US-20140315895-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A ALDH1A1 332/4885TDP1 1121/4885TSHR 4432/4885
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A ALDH1A1 332/4885TDP1 1121/4885TSHR 4432/4885

“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.