SCHEMBL6073675

SCHEMBL6073675

CCC(=O)CCC[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.38
CES2 O00748 6/20 0.33
CES1 P23141 6/20 0.33
HAO1 Q9UJM8 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL30757517 0.86
SCHEMBL6074622 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL11032946 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1TDP1TSHR
SCHEMBL8795227 0.77 MEN1 (0.44) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL856486 0.76
SCHEMBL9680510 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL19283724 0.76 LMNA (0.54) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL5399043 0.76 MEN1 (0.48) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL10496017 0.76 MEN1 (0.43) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL15688292 0.75 TSHR (0.41) ALDH1A1KMT2AMEN1LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168940-B1 6,8,10-UNDECATRIEN-(3 OR 4)-ONE AND PERFUME COMPOSITION HASEGAWA T CO LTD (JP) 2013-07-24 EP disclosed
US-7795474-B2 6,8,10-undecatrien-3-one or 6,8,10-undecatrien-4-one, and aroma compositions T. HASEGAWA CO., LTD. (JP) 2010-09-14 US disclosed
EP-2168940-A9 6,8,10-UNDECATRIEN-(3 OR 4)-ONE AND PERFUME COMPOSITION T. Hasegawa Co., Ltd. (JP) 2010-06-09 EP disclosed
US-20100137648-A1 6,8,10-UNDECATRIEN-3-ONE OR 6,8,10-UNDECATRIEN-4-ONE, AND AROMA COMPOSITIONS T. HASEGAWA CO., LTD. (JP) 2010-06-03 US disclosed
EP-2168940-A1 6,8,10-UNDECATRIEN-(3 OR 4)-ONE AND PERFUME COMPOSITION T. Hasegawa Co., Ltd. (JP) 2010-03-31 EP disclosed
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
EP-1585720-A1 PROCESS FOR CONVERTING A CIS-TRANS MIXTURE OF SUBSTITUTED BENZYLIDENE AMINES INTO THE PURE CIS ISOMER Pfizer Products Inc. (US) 2005-10-19 EP disclosed
EP-1272484-B1 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PROD INC (US) 2005-07-20 EP disclosed
US-6878848-B2 Process for converting a cis-trans mixture of substituted benzylidene amines into the pure cis isomer PFIZER INC (US) 2005-04-12 US disclosed
US-20040254380-A1 Process for converting a cis-trans mixture of substituted benzylidene amines into the pure cis isomer PFIZER INC 2004-12-16 US disclosed
WO-2004043908-A1 PROCESS FOR CONVERTING A CIS-TRANS MIXTURE OF SUBSTITUTED BENZYLIDENE AMINES INTO THE PURE CIS ISOMER PFIZER PRODUCTS INC. (US) 2004-05-27 WO disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO disclosed
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 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 (3 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-20040254380-A1 Process for converting a cis-trans mixture of substituted benzylidene amines into the pure cis isomer BDKRB1, BDKRB2, TACR1 ALDH1A1 448/4885KMT2A 1249/4885MEN1 997/4885
US-20100137648-A1 6,8,10-UNDECATRIEN-3-ONE OR 6,8,10-UNDECATRIEN-4-ONE, AND AROMA COMPOSITIONS OR10J3, ALOX5, TAS2R13 ALDH1A1 757/4885KMT2A 2871/4885MEN1 1355/4885
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 ALDH1A1 732/4885KMT2A 1034/4885MEN1 2361/4885

“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.