SCHEMBL104477

SCHEMBL104477

CC(C)CCCN1CCCC1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.61
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
ADRA1B P35368 3/20 0.43
MALT1 Q9UDY8 1/20 0.43
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ADRA1A P35348 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL5069393 0.95 PIK3CD (0.55) PIK3CDLMNAKMT2AMEN1PKM
SCHEMBL4327116 0.93 PIK3CD (0.58) PIK3CDLMNAKMT2AMEN1PKM
SCHEMBL5502986 0.93 PIK3CD (0.58) PIK3CDLMNAKMT2AMEN1PKM
SCHEMBL3430972 0.89 PIK3CD (0.66) PIK3CDLMNAKMT2AMEN1PKM
SCHEMBL628723 0.86 PIK3CD (0.50) PIK3CDLMNAKMT2AMEN1PKM
SCHEMBL9812335 0.86 PIK3CD (0.50) PIK3CDLMNAKMT2AMEN1PKM
SCHEMBL22021621 0.86 PIK3CD (0.53) PIK3CDLMNAKMT2AMEN1PKM
SCHEMBL1978043 0.84 PIK3CD (0.51) PIK3CDLMNAKMT2AMEN1PKM
SCHEMBL7005443 0.84 PIK3CD (0.61) PIK3CDLMNAKMT2AMEN1PKM
SCHEMBL12197894 0.83 PIK3CD (0.58) PIK3CDLMNAKMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444028-B Extractant for separating 2, 4-dichlorotoluene and 2, 5-dichlorotoluene and separation method 江苏聚由新材料科技有限公司 2024-12-03 CN claimed
CN-113444028-A Extractant for separating 2, 4-dichlorotoluene and 2, 5-dichlorotoluene and separation method 江苏超跃化学有限公司 2021-09-28 CN claimed
CN-113444028-B Extractant for separating 2, 4-dichlorotoluene and 2, 5-dichlorotoluene and separation method 江苏聚由新材料科技有限公司 2024-12-03 CN disclosed
US-11814387-B2 Cyclic amide-containing pyridyl xanthines as A2B antagonists ADOVATE, LLC (US) 2023-11-14 US disclosed
US-20230312575-A1 LIGANDS TO CEREBLON (CRBN) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-05 US disclosed
US-20230292741-A1 NOVEL SUPERCOOLING METHODS FOR PRESERVATION OF BIOLOGICAL SAMPLES X-THERMA, INC. (US) 2023-09-21 US disclosed
US-20230276788-A1 COMPOSITIONS AND METHODS FOR REDUCING ICE CRYSTAL FORMATION X-THERMA, INC. 2023-09-07 US disclosed
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2023-04-27 US disclosed
US-20230129040-A1 IMMUNOMODULATING AZALIDES ZOETIS SERVICES LLC 2023-04-27 US disclosed
US-11633385-B2 Combination compositions for treatment of cancer REDHILL BIOPHARMA LTD. (IL) 2023-04-25 US disclosed
US-20220402919-A1 CYCLIC AMIDE-CONTAINING PYRIDYL XANTHINES AS A2B ANTAGONISTS ADOVATE, LLC 2022-12-22 US disclosed
US-20080200527-A1 Cannabinoid Receptor Modulators CAREX SA (FR) 2008-08-21 US disclosed
US-20080200527-A1 Cannabinoid Receptor Modulators CAREX SA (FR) 2008-08-21 US disclosed
CN-100395233-C N,N-dialkyl-2-pyrrolidone quaternary ammonium salt and its synthesizing method and use UNIV WUHAN (CN) 2008-06-18 CN disclosed
US-7323490-B2 Pyrrole compounds and uses thereof AMBIT BIOSCIENCES CORPORATION (US) 2008-01-29 US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US disclosed
US-20070010540-A1 Crystal structure of liganded cFMS kinase domain SHEWCHUK LISA M 2007-01-11 US disclosed
CN-1775753-A N,N-dialkyl-2-pyrrolidone quaternary ammonium salt and its synthesizing method and use UNIV WUHAN (CN) 2006-05-24 CN disclosed
WO-2005068437-A1 2, 4 - DIAMINOPYRIMIDINES AND THEIR USE FOR INDUCING CARDIOMYOGENESIS NOVARTIS AG (CH) 2005-07-28 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 (11 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-20220402919-A1 CYCLIC AMIDE-CONTAINING PYRIDYL XANTHINES AS A2B ANTAGONISTS ADORA2B, ADORA2A, ADORA3 PIK3CD 3213/4885LMNA 2180/4885KMT2A 2059/4885
US-20070043051-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS PIK3CD 1445/4885LMNA 2238/4885KMT2A 4102/4885
US-20070010540-A1 Crystal structure of liganded cFMS kinase domain FAM20C, FRS2, FRK PIK3CD 243/4885LMNA 3276/4885KMT2A 3069/4885
US-20080200527-A1 Cannabinoid Receptor Modulators CNR1, CNR2, HCRTR2 PIK3CD 2533/4885LMNA 4693/4885KMT2A 2919/4885
US-11814387-B2 Cyclic amide-containing pyridyl xanthines as A2B antagonists ADORA2B, ADORA2A, ADORA1 PIK3CD 3085/4885LMNA 2057/4885KMT2A 2629/4885
US-20230129040-A1 IMMUNOMODULATING AZALIDES IL2, MALT1, FCGRT PIK3CD 1655/4885LMNA 4875/4885KMT2A 947/4885
US-20230312575-A1 LIGANDS TO CEREBLON (CRBN) CRBN, CRKL, CDR2 PIK3CD 1025/4885LMNA 3192/4885KMT2A 3796/4885
US-11633385-B2 Combination compositions for treatment of cancer KRAS, TPMT, CYP2D6 PIK3CD 2643/4885LMNA 3638/4885KMT2A 481/4885
US-20230292741-A1 NOVEL SUPERCOOLING METHODS FOR PRESERVATION OF BIOLOGICAL SAMPLES PPIG, AQP3, AQP1 PIK3CD 1426/4885LMNA 195/4885KMT2A 4864/4885
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF HMOX1, CD209, HMOX2 PIK3CD 3381/4885LMNA 4039/4885KMT2A 926/4885
US-20230276788-A1 COMPOSITIONS AND METHODS FOR REDUCING ICE CRYSTAL FORMATION CUTA, IAPP, CRYAA PIK3CD 3669/4885LMNA 670/4885KMT2A 4795/4885

“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.