SCHEMBL4461827

SCHEMBL4461827

CC(C)C1CC(=O)N(C(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MME P08473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
MAPK1 P28482 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL20226663 0.85 MAPT (0.40) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL23140222 0.83 MAPT (0.41) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL19121034 0.83 MAPT (0.39) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL21152760 0.83 MAPT (0.39) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL19403535 0.83 MME (0.32) MAPTGAAALDH1A1ALOX12MME
SCHEMBL22166373 0.80 MME (0.33) ALDH1A1MME
SCHEMBL21152368 0.80 ALDH1A1 (0.37) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL24966963 0.79 MAPT (0.33) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL16449757 0.79 ALDH1A1 (0.30) MAPTGAAALDH1A1ALOX12
SCHEMBL12381788 0.79 SMN1; SMN2 (0.36) MAPTGAAALDH1A1SMN1; SMN2NPC1

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 265 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239894-A1 THERAPEUTIC BINDING MOLECULES MEDIMMUNE LIMITED (GB) 2024-07-18 US disclosed
US-12029736-B2 Camptothecin derivatives and conjugates thereof MEDIBOSTON LIMITED (HK) 2024-07-09 US disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
WO-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 WO disclosed
WO-2024013723-A1 ANTIBODY DRUG CONJUGATES THAT BIND CDCP1 AND USES THEREOF PHEON THERAPEUTICS LTD (GB) 2024-01-18 WO disclosed
US-11857638-B2 Quinone-containing conjugates PROMEGA CORPORATION (US) 2024-01-02 US disclosed
US-11857638-B2 Quinone-containing conjugates PROMEGA CORPORATION (US) 2024-01-02 US disclosed
US-20230399356-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-14 US disclosed
US-20230399356-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-14 US disclosed
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 US disclosed
US-7326793-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US disclosed
US-20070117889-A1 Process for the direct preparation of pyrrolo[3,4-C]pyrroles RUFFIEUX VINCENT 2007-05-24 US disclosed
EP-1425282-B1 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES CIBA SC HOLDING AG (CH) 2007-03-21 EP disclosed
US-7186847-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-03-06 US disclosed
US-20040249162-A1 From a pyrrolidinone compound; coloring high molecular weight material BASF SE (DE) 2004-12-09 US disclosed
US-20040171847-A1 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 US disclosed
EP-1436296-A2 PROCESS FOR THE DIRECT PREPARATION OF PYRROLO 3,4-C]PYRROLES Ciba SC Holding AG (CH) 2004-07-14 EP disclosed
EP-1425282-A2 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES Ciba SC Holding AG (CH) 2004-06-09 EP disclosed
WO-2003022848-A2 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-20 WO disclosed
WO-2003022847-A2 PROCESS FOR THE DIRECT PREPARATION OF PYRROLO[3,4-C]PYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-20 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 (9 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R MAPT 3713/4885GAA 2646/4885ALDH1A1 3778/4885
US-20040249162-A1 From a pyrrolidinone compound; coloring high molecular weight material PAXBP1, PAX3, PPOX MAPT 1138/4885GAA 3917/4885ALDH1A1 681/4885
US-12029736-B2 Camptothecin derivatives and conjugates thereof TOP2A, TOP1, XPA MAPT 3303/4885GAA 1021/4885ALDH1A1 1163/4885
US-20230399356-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 MAPT 3123/4885GAA 335/4885ALDH1A1 4494/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 MAPT 3354/4885GAA 12/4885ALDH1A1 72/4885
US-20240239894-A1 THERAPEUTIC BINDING MOLECULES EPCAM, IGSF11, FCGR3B MAPT 1237/4885GAA 1066/4885ALDH1A1 1539/4885
US-20070117889-A1 Process for the direct preparation of pyrrolo[3,4-C]pyrroles PAX3, PPOX, FIP1L1 MAPT 515/4885GAA 3810/4885ALDH1A1 339/4885
US-11857638-B2 Quinone-containing conjugates NQO1, NQO2, SQOR MAPT 2456/4885GAA 380/4885ALDH1A1 460/4885
US-20040171847-A1 From a pyrrolidinone compound; coloring high molecular weight material MKI67, PAH, PKLR MAPT 2491/4885GAA 808/4885ALDH1A1 146/4885

“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.