SCHEMBL578355

SCHEMBL578355

CC1(C)CC(Cc2ccccc2)CC(C)(C)N1[O]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GBA1 P04062 1/20 0.42
GRIN2B Q13224 2/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL14632774 0.82 CCR3 (0.42) CCR3ALDH1A1GBA1MEN1GAA
SCHEMBL11404840 0.82 CARM1 (0.42) CCR3ALDH1A1GBA1TMEM97SIGMAR1
SCHEMBL11524171 0.79 CCR3 (0.47) CCR3ALDH1A1GBA1MEN1GAA
SCHEMBL14632360 0.76 DDB1 (0.41) ALDH1A1MEN1GAAKMT2AHSD17B10
SCHEMBL6935026 0.75 NPSR1 (0.43) ALDH1A1GRIN2BMEN1KMT2A
SCHEMBL1150161 0.75 CTSL (0.46) ALDH1A1KMT2ATMEM97SIGMAR1CARM1
SCHEMBL6933594 0.75 KDM4E (0.48) ALDH1A1GRIN2BMEN1GAAKMT2A
SCHEMBL10187536 0.74 GBA1 (0.44) CCR3ALDH1A1GBA1TMEM97SIGMAR1
SCHEMBL1558534 0.74 GBA1 (0.48) CCR3ALDH1A1GBA1MEN1GAA
SCHEMBL11529607 0.73 CCR3 (0.41) CCR3ALDH1A1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994726-B2 Laminate, method for producing same, and gas barrier material TOPPAN PRINTING CO., LTD. (JP) 2018-06-12 US disclosed
US-20180131005-A1 CARBON FIBER COMPOSITE, METHOD FOR PRODUCING SAME, CATALYST SUPPORT AND POLYMER ELECTROLYTE FUEL CELL TOPPAN PRINTING CO., LTD. (JP) 2018-05-10 US disclosed
US-9950846-B2 Laminate, manufacturing method and shaped container TOPPAN PRINTING CO., LTD. (JP) 2018-04-24 US disclosed
EP-2417149-B1 METHODS FOR THE PREPARATION OF DROSPIRENONE EVESTRA INC (US) 2016-09-14 EP disclosed
US-20140356767-A1 CARBON FIBER COMPOSITE, METHOD FOR PRODUCING SAME, CATALYST SUPPORT AND POLYMER ELECTROLYTE FUEL CELL TOPPAN PRINTING CO., LTD. (JP) 2014-12-04 US disclosed
US-20140017430-A1 LAMINATE, MANUFACTURING METHOD AND SHAPED CONTAINER TOPPAN PRINTING CO., LTD. (JP) 2014-01-16 US disclosed
EP-2554589-A1 FILM-FORMING COMPOSITION AND SHEET Toppan Printing Co., Ltd. (JP) 2013-02-06 EP disclosed
US-20130022827-A1 Composition for Forming Film and Film Sheet TOPPAN PRINTING CO., LTD. (JP) 2013-01-24 US disclosed
US-8334375-B2 Methods for the preparation of drospirenone EVESTRA, INC. (US) 2012-12-18 US disclosed
EP-2417149-A1 METHODS FOR THE PREPARATION OF DROSPIRENONE Evestra, Inc. (US) 2012-02-15 EP disclosed
WO-2010118023-A1 METHODS FOR THE PREPARATION OF DROSPIRENONE EVESTRA, INC. (US) 2010-10-14 WO disclosed
US-20100261896-A1 METHODS FOR THE PREPARATION OF DROSPIRENONE EVESTRA, INC. 2010-10-14 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 (1 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-20100261896-A1 METHODS FOR THE PREPARATION OF DROSPIRENONE CYP17A1, CYP11A1, DHCR7 CCR3 4198/4885ALDH1A1 2310/4885GBA1 1696/4885

“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.