SCHEMBL12436729

SCHEMBL12436729

CC(C)CCc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DAO P14920 2/20 0.41
DPP4 P27487 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
CYP51A1 Q16850 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL21050994 0.84 ALDH1A1 (0.43) ALDH1A1HTTMAPTL3MBTL1DAO
SCHEMBL2741641 0.82 KDM4E (0.42) ALDH1A1HTTMAPT
SCHEMBL21902913 0.81 GABRA1 (0.41) ALDH1A1HTTMAPTL3MBTL1DPP4
SCHEMBL16047309 0.80 STAT3 (0.49) ALDH1A1HTTMAPTL3MBTL1
SCHEMBL16105820 0.79 DAO (0.55) ALDH1A1HTTDAOTRPV3MAOA
SCHEMBL3571123 0.79 STAT3 (0.43) ALDH1A1HTTMAPTL3MBTL1DAO
SCHEMBL22242870 0.78 DAO (0.33) ALDH1A1HTTMAPTL3MBTL1DAO
SCHEMBL2623873 0.78 GABRA1 (0.48) ALDH1A1HTTMAPTDPP4
SCHEMBL9176216 0.78 GABRA1 (0.48) ALDH1A1HTTMAPTDPP4
SCHEMBL11963166 0.78 TRPV4 (0.49) DAOMAOAMAOB

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
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA 2020-07-23 US disclosed
US-9902754-B2 Modified peptides as potent inhibitors of the PSD-95/NMDA receptor interaction UNIVERSITY OF COPENHAGEN (DK) 2018-02-27 US disclosed
US-20160176924-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION UNIVERSITY OF COPENHAGEN (DK) 2016-06-23 US disclosed
US-9241967-B2 Modified peptides as potent inhibitors of the PSD-95/NMDA receptor interaction UNIVERSITY OF COPENHAGEN (DK) 2016-01-26 US disclosed
US-20110178022-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION UNIVERSITY OF COPENHAGEN (DK) 2011-07-21 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 (7 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885HTT 2300/4885MAPT 3935/4885
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE TP53, BRCA1, MET ALDH1A1 4214/4885HTT 1090/4885MAPT 1334/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 ALDH1A1 144/4885HTT 4475/4885MAPT 2817/4885
US-20160176924-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION PSD, GRIN1, GRIN3B ALDH1A1 4849/4885HTT 2044/4885MAPT 2420/4885
US-20110178022-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION GRIN1, PSD, GRIN3B ALDH1A1 4851/4885HTT 2224/4885MAPT 2438/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 ALDH1A1 89/4885HTT 4764/4885MAPT 3825/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885HTT 2300/4885MAPT 3935/4885

“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.