SCHEMBL365957

SCHEMBL365957

CCCCC(C)NCCCO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ADRB2 P07550 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
Water SCHEMBL7784665 0.98 ADRB2 (0.40) ALDH1A1ADRB2SMN1; SMN2LMNAHSD17B10
SCHEMBL1618292 0.94 SMN1; SMN2 (0.44) ALDH1A1ADRB2SMN1; SMN2LMNAHSD17B10
SCHEMBL9949255 0.94 SMN1; SMN2 (0.44) ALDH1A1ADRB2SMN1; SMN2LMNAHSD17B10
SCHEMBL1619826 0.92 LMNA (0.46) ALDH1A1ADRB2SMN1; SMN2LMNAHSD17B10
SCHEMBL7968807 0.89 ADRB2 (0.42) ALDH1A1ADRB2SMN1; SMN2LMNAHSD17B10
SCHEMBL2195745 0.89 ALDH1A1 (0.38) ALDH1A1ADRB2SMN1; SMN2LMNAHSD17B10
SCHEMBL10496376 0.88 LMNA (0.46) ALDH1A1ADRB2SMN1; SMN2LMNAHSD17B10
SCHEMBL1619443 0.88 SMN1; SMN2 (0.48) ALDH1A1ADRB2SMN1; SMN2LMNAHSD17B10
SCHEMBL5052257 0.86 SMN1; SMN2 (0.32) ALDH1A1ADRB2SMN1; SMN2LMNAHSD17B10
SCHEMBL24337442 0.86 ADRB2 (0.42) ALDH1A1ADRB2TSHRADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609101-A1 PROCESS FOR THE PREPARATION OF 3-(N-METHYL-N-PENTYL)AMINO-1-HYDROXYPROPANE-1,1-DIPHOSPHONIC ACID SALT OR DERIVATIVES THEREOF Pharmathen S.A. (GR) 2013-07-03 EP claimed
WO-2012007021-A1 PROCESS FOR THE PREPARATION OF 3-(N-METHYL-N-PENTYL)AMINO-1-HYDROXYPROPANE-1,1-DIPHOSPHONIC ACID SALT OR DERIVATIVES THEREOF PHARMATHEN S.A. (GR) 2012-01-19 WO claimed
EP-1848728-A1 IBANDRONATE POLYMORPH A F.HOFFMANN-LA ROCHE AG (CH) 2007-10-31 EP claimed
WO-2006081963-A1 IBANDRONATE POLYMORPH A F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO claimed
US-9409119-B2 Acid gas absorbent, acid gas removal method, and acid gas removal device KABUSHIKI KAISHA TOSHIBA (JP) 2016-08-09 US disclosed
EP-2705894-A1 Acid gas absorbent, acid gas removal method and acid gas removal device Kabushiki Kaisha Toshiba (JP) 2014-03-12 EP disclosed
EP-2609101-A1 PROCESS FOR THE PREPARATION OF 3-(N-METHYL-N-PENTYL)AMINO-1-HYDROXYPROPANE-1,1-DIPHOSPHONIC ACID SALT OR DERIVATIVES THEREOF Pharmathen S.A. (GR) 2013-07-03 EP disclosed
US-20120161071-A1 ACID GAS ABSORBENT, ACID GAS REMOVAL METHOD, AND ACID GAS REMOVAL DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2012-06-28 US disclosed
EP-2468385-A2 Acid gas absorbent, acid gas removal method and acid gas removal device Kabushiki Kaisha Toshiba (JP) 2012-06-27 EP disclosed
WO-2012007021-A1 PROCESS FOR THE PREPARATION OF 3-(N-METHYL-N-PENTYL)AMINO-1-HYDROXYPROPANE-1,1-DIPHOSPHONIC ACID SALT OR DERIVATIVES THEREOF PHARMATHEN S.A. (GR) 2012-01-19 WO disclosed
EP-2144919-A2 MULTI STEP SYNTHESIS OF IBANDRONATE F. Hoffmann-Roche AG (CH) 2010-01-20 EP disclosed
WO-2008125483-A2 MULTI STEP SYNTHESIS OF IBANDRONATE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 WO disclosed
US-5817638-A USING HYBRID NUCLEOSIDES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5780617-A PHOSPHORYLATION OF A PHOSPHATIDES WITH A NUCLEOTIDES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
EP-0594677-A4 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B VICAL INC (US) 1997-09-17 EP disclosed
EP-0594677-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B NeXstar Pharmaceuticals, Inc. (US) 1994-05-04 EP disclosed
EP-0531452-A4 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES 1993-06-09 EP disclosed
EP-0531452-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES NeXstar Pharmaceuticals, Inc. (US) 1993-03-17 EP disclosed
WO-1993000910-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B VICAL, INC. (US) 1993-01-21 WO disclosed
WO-1991018914-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES VICAL, INC. (US) 1991-12-12 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 (1 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-20120161071-A1 ACID GAS ABSORBENT, ACID GAS REMOVAL METHOD, AND ACID GAS REMOVAL DEVICE ALKBH1, ALKBH3, ALKBH2 ALDH1A1 247/4885ADRB2 1767/4885SMN1; SMN2 3228/4885

“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.