SCHEMBL356022

SCHEMBL356022

CCN(CC)C1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.50
ADH1C P00326 3/20 0.50
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
EBP Q15125 1/20 0.37
PHGDH O43175 1/20 0.37
HPGD P15428 1/20 0.36
SHBG P04278 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL611858 1.00 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL613463 1.00 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL612572 1.00 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL28388990 1.00 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL150343 1.00 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
SCHEMBL23073672 1.00 ADH1A (0.50) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
Fluoride SCHEMBL9620456 0.97 ADH1A (0.48) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
Water SCHEMBL29014909 0.97 ADH1A (0.48) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL2142268 0.97 ADH1A (0.48) ADH1AADH1CALDH1A1SMN1; SMN2MEN1
Phosphine SCHEMBL27880090 0.97 ADH1A (0.48) ADH1AADH1CALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865217-B2 Process for the preparation of 5-(4-cyanophenoxy)-1,3-dihydro-1-hydroxy-[2,1]-benzoxaborole and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED, R & D CENTER (IN) 2020-12-15 US claimed
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2020-06-18 US claimed
WO-2018216032-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-11-29 WO claimed
US-8487105-B2 Process for preparing pitavastatin, intermediates and pharmaceuctically acceptable salts thereof MSN LABORATORIES LIMITED (IN) 2013-07-16 US claimed
US-20120016129-A1 Process for Preparing Pitavastatin, Intermediates and Pharmaceuctically Acceptable Salts Thereof MSN LABORATORIES LIMITED (IN) 2012-01-19 US claimed
WO-2011148392-A1 PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2011-12-01 WO claimed
EP-2387561-A2 IMPROVED PROCESS FOR THE PREPARATION OF HIGHLY PURE (3R,5S)-7-Ý2-CYCLOPROPYL-4-(4-FLUOROPHENYL) QUINOLIN-3-YL¨-3,5-DIHYDROXY-6(E)-HEPTENOIC ACID AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF MSN Laboratories Limited (IN) 2011-11-23 EP claimed
WO-2011141933-A2 PROCESS FOR PREPARATION OF 2-[3-CYANO-4-(2-METHYLPROPOXY)PHENYL]-4-METHYLTHIAZOLE-5-CARBOXYLIC ACID AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2011-11-17 WO claimed
WO-2010089770-A2 IMPROVED PROCESS FOR THE PREPARATION OF HIGHLY PURE (3R,5S)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL) QUINOLIN-3-YL]-3,5-DIHYDROXY-6(E)-HEPTENOIC ACID AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF MSN LABORATORIES LIMITED (IN) 2010-08-12 WO claimed
EP-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP claimed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP claimed
US-20030120086-A1 New salts of HMG-CoA reductase inhibitors LEK PHARMACEUTICALS D.D. (SI) 2003-06-26 US claimed
US-6583295-B1 Amine salts of such as lovastatin, pravastatin, simvastatin, mevastatin or atorvastatin LEK PHARMACEUTICALS D.D. (SI) 2003-06-24 US claimed
EP-1307458-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-05-07 EP claimed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 US claimed
EP-1198464-A1 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2002-04-24 EP claimed
WO-2002012246-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2002-02-14 WO claimed
EP-1114021-A1 NEW SALTS OF HMG-CoA REDUCTASE INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2001-07-11 EP claimed
WO-2001007441-A1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-02-01 WO claimed
WO-2000017150-A1 NEW SALTS OF HMG-CoA REDUCTASE INHIBITORS LEK PHARMACEUTICAL AND CHEMICAL COMPANY D.D. (DE) 2000-03-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20120016129-A1 Process for Preparing Pitavastatin, Intermediates and Pharmaceuctically Acceptable Salts Thereof PCSK9, HMGCR, HDLBP ADH1A 3579/4885ADH1C 3777/4885ALDH1A1 3826/4885
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB ADH1A 1437/4885ADH1C 2083/4885ALDH1A1 1064/4885
US-10865217-B2 Process for the preparation of 5-(4-cyanophenoxy)-1,3-dihydro-1-hydroxy-[2,1]-benzoxaborole and polymorphs thereof CYP1B1, CYP4B1, CYP1A1 ADH1A 53/4885ADH1C 81/4885ALDH1A1 114/4885
US-20200190120-A1 PROCESS FOR THE PREPARATION OF 5-(4-CYANOPHENOXY)-1,3-DIHYDRO-1-HYDROXY-[2,1]-BENZOXABOROLE AND POLYMORPHS THEREOF CYP1B1, CYP4B1, CYP1A1 ADH1A 53/4885ADH1C 81/4885ALDH1A1 114/4885
US-20030120086-A1 New salts of HMG-CoA reductase inhibitors HMGCR, COASY, FDPS ADH1A 403/4885ADH1C 475/4885ALDH1A1 803/4885

“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.