SCHEMBL557257

SCHEMBL557257

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

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
FFAR1 O14842 1/20 0.59
CPT2 P23786 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HMGCR P04035 1/20 0.55
CHRM1 P11229 1/20 0.55
TBXA2R P21731 1/20 0.55
ADRA1A P35348 1/20 0.55
CYP2C19 P33261 2/20 0.52
HIF1A Q16665 2/20 0.52
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 2/20 0.41
BHMT Q93088 3/20 0.38
FFAR3 O14843 1/20 0.37
ACLY P53396 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
SCHEMBL12808778 0.97 KDM4E (0.56) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL433760 0.88 KDM4E (0.54) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL14314268 0.87 KDM4E (0.74) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL22561607 0.87 KDM4E (0.54) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL11982038 0.87 KDM4E (0.48) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL14272837 0.87 KDM4E (0.48) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL13882708 0.87 KDM4E (0.48) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL30854909 0.87 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL48109 0.87 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL17187568 0.86 KDM4E (0.52) KDM4EFFAR1CPT2TDP1HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322187-B2 Reduced toxicity molecular conjugates of anti-fungal agents LEHIGH UNIVERSITY 2019-06-18 US disclosed
EP-2952516-B1 POLYSILOXANE COMPOUND AND DENTAL MATERIALS THAT CAN BE PRODUCED FROM SAME VOCO GMBH (DE) 2017-08-09 EP disclosed
US-20170042923-A1 REDUCED TOXICITY MOLECULAR CONJUGATES OF ANTI-FUNGAL AGENTS LEHIGH UNIVERSITY 2017-02-16 US disclosed
EP-2952516-A1 POLYSILOXANE COMPOUND AND DENTAL MATERIALS THAT CAN BE PRODUCED FROM SAME VOCO GmbH (DE) 2015-12-09 EP disclosed
US-20150342841-A1 POLYSILOXANE COMPOUND AND DENTAL MATERIALS THAT CAN BE PREPARED FROM IT VOCO GMBH (DE) 2015-12-03 US disclosed
US-20140242795-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-08-28 US disclosed
EP-2371821-B1 Volatile imidazoles and group 2 imidazole based metal precursors AIR PROD & CHEM (US) 2014-06-18 EP disclosed
US-8703103-B2 Volatile imidazoles and group 2 imidazole based metal precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-04-22 US disclosed
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-02-09 US disclosed
EP-2371821-A1 Volatile imidazoles and group 2 imidazole based metal precursors Air Products and Chemicals, Inc. (US) 2011-10-05 EP disclosed
US-20100113599-A1 AMPHIPATHIC CARBOXYLATES FOR THE TREATMENT OF IMMUNE-RELATED DISORDERS SYNDROMEX LTD. C/O YISSUM RESEARCH DEVELOPMENT COMPANY, OF (IL) 2010-05-06 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-20100113599-A1 AMPHIPATHIC CARBOXYLATES FOR THE TREATMENT OF IMMUNE-RELATED DISORDERS MALT1, TLR9, TLR6 KDM4E 2087/4885FFAR1 157/4885CPT2 134/4885
US-10322187-B2 Reduced toxicity molecular conjugates of anti-fungal agents ANTXR2, FABP7, ERG28 KDM4E 4221/4885FFAR1 2549/4885CPT2 1842/4885
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors CACNG5, BST2, API5 KDM4E 1388/4885FFAR1 4059/4885CPT2 4668/4885
US-20150342841-A1 POLYSILOXANE COMPOUND AND DENTAL MATERIALS THAT CAN BE PREPARED FROM IT SMCHD1, IPO5, IPO9 KDM4E 548/4885FFAR1 3947/4885CPT2 4786/4885
US-20170042923-A1 REDUCED TOXICITY MOLECULAR CONJUGATES OF ANTI-FUNGAL AGENTS ANTXR2, FABP7, ERG28 KDM4E 4221/4885FFAR1 2549/4885CPT2 1842/4885

“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.