SCHEMBL553596

SCHEMBL553596

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 1/20 0.38
RIPK1 Q13546 5/20 0.35
FKBP1A P62942 5/20 0.35
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL3917530 0.91 FKBP1A (0.33) TDP1TSHRRIPK1FKBP1A
SCHEMBL21029604 0.88 FKBP1A (0.32) TDP1TSHRRIPK1FKBP1A
SCHEMBL7949805 0.86 FAAH (0.34) RIPK1FKBP1A
SCHEMBL8603741 0.84 TDP1 (0.35) TDP1TSHRRIPK1FKBP1AALDH1A1
SCHEMBL166880 0.84 TSHR (0.40) TDP1TSHRRIPK1FKBP1AALDH1A1
SCHEMBL24090037 0.82 FKBP1A (0.32) TDP1TSHRRIPK1FKBP1A
SCHEMBL15049329 0.82 FKBP1A (0.35) TDP1TSHRRIPK1FKBP1AALDH1A1
SCHEMBL7976063 0.82 TSHR (0.38) TSHRRIPK1FKBP1AALDH1A1FFAR3
SCHEMBL28423216 0.82 FFAR3 (0.33) TDP1RIPK1FKBP1AALDH1A1FFAR3
SCHEMBL7976062 0.80 CA4 (0.36) TSHRRIPK1FKBP1AFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2540731-B1 Volatile group 2 metal precursors VERSUM MAT US LLC (US) 2018-02-21 EP disclosed
EP-2580223-B1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PROD & CHEM (US) 2017-02-08 EP disclosed
US-9018387-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-04-28 US disclosed
US-8859785-B2 Volatile group 2 metal precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-10-14 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-8680289-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-03-25 US disclosed
EP-2580223-A1 COMPLEXES OF IMIDAZOLE LIGANDS Air Products and Chemicals, Inc. (US) 2013-04-17 EP disclosed
US-20130078391-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-03-28 US disclosed
EP-2540731-A1 Volatile group 2 metal precursors Air Products and Chemicals, Inc. (US) 2013-01-02 EP disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 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
WO-2011156699-A1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 WO 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-20110120875-A1 Volatile Group 2 Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-05-26 US disclosed
EP-2256121-A1 Volatile group 2 metal precursors Air Products and Chemicals, Inc. (US) 2010-12-01 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 (4 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-20130078391-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM TDP1 2835/4885TSHR 2864/4885RIPK1 1859/4885
US-20110120875-A1 Volatile Group 2 Metal Precursors BST2, BMP2, CACNA1G TDP1 4180/4885TSHR 3572/4885RIPK1 1857/4885
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors CACNG5, BST2, API5 TDP1 3100/4885TSHR 2836/4885RIPK1 1368/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM TDP1 2835/4885TSHR 2864/4885RIPK1 1859/4885

“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.