SCHEMBL2748412

SCHEMBL2748412

CCCCCCNCCC(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.64
CA14 Q9ULX7 2/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
TSHR P16473 3/20 0.52
ALDH1A1 P00352 1/20 0.52
EPHX1 P07099 5/20 0.52
EPHX2 P34913 1/20 0.49
POLB P06746 1/20 0.49
POLA1 P09884 1/20 0.49
S1PR2 O95136 5/20 0.48
S1PR4 O95977 5/20 0.48
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 5/20 0.48
S1PR5 Q9H228 1/20 0.48
CASP2 P42575 1/20 0.47
NAAA Q02083 1/20 0.44
KDM5A P29375 1/20 0.44

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
SCHEMBL19032581 1.00 CA12 (0.64) CA12CA14CA2CA7CA9
SCHEMBL8177400 1.00 CA12 (0.64) CA12CA14CA2CA7CA9
SCHEMBL6702856 1.00 CA12 (0.64) CA12CA14CA2CA7CA9
SCHEMBL27178962 1.00 CA12 (0.64) CA12CA14CA2CA7CA9
SCHEMBL5595405 1.00 CA12 (0.64) CA12CA14CA2CA7CA9
SCHEMBL29268653 1.00 CA12 (0.64) CA12CA14CA2CA7CA9
SCHEMBL16486598 1.00 CA12 (0.64) CA12CA14CA2CA7CA9
Hydrochloric Acid SCHEMBL5595651 0.98 CA12 (0.62) CA12CA14CA2CA7CA9
Hydrochloric Acid SCHEMBL10958873 0.98 CA12 (0.62) CA12CA14CA2CA7CA9
SCHEMBL3633804 0.98 CA12 (0.61) CA12CA14CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178712-B2 Process for the synthesis of Ibandronate sodium CIPLA LTD. (IN) 2012-05-15 US claimed
EP-2038291-B1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD (IN) 2010-07-14 EP claimed
CN-118338888-A Surfactant composition for cosmetic material and cosmetic material 三洋化成工业株式会社 2024-07-12 CN disclosed
WO-2023100459-A1 SURFACTANT COMPOSITION FOR COSMETIC AND COSMETIC 三洋化成工業株式会社 2023-06-08 WO disclosed
EP-2038291-B1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD (IN) 2010-07-14 EP disclosed
EP-1064254-B1 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIV SASKATCHEWAN (CA) 2007-10-17 EP disclosed
US-6984754-B1 Aliphatic amino carboxylic and amino phosphonic acids amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2006-01-10 US disclosed
CN-1213999-C Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2005-08-10 CN disclosed
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 US disclosed
CN-1299342-A Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2001-06-13 CN disclosed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP disclosed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 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-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents CHAMP1, PYCR1, PRMT5 CA12 3584/4885CA14 2550/4885CA2 571/4885

“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.