SCHEMBL458027

SCHEMBL458027

O=C(O)CCC(=O)COc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53
FFAR1 O14842 4/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.49
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PLA2G4B P0C869 1/20 0.47
HPGD P15428 1/20 0.47
FFAR4 Q5NUL3 2/20 0.46

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
SCHEMBL3898377 0.85 ALOX15 (0.74) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL9824596 0.82 ALOX15 (0.69) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL15396047 0.81 ALOX15 (0.68) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL25364295 0.81 FFAR1 (0.54) ALOX15FFAR1ALDH1A1GAACYP2C19
SCHEMBL10603024 0.81 FFAR1 (0.57) ALOX15KMT2AMEN1FFAR1GAA
SCHEMBL8127 0.81 ALOX15 (1.00) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL1318870 0.81 ALOX15 (1.00) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL13472198 0.79 KMT2A (0.57) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL6247942 0.79 PLA2G4B (0.57) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL11956755 0.79 ALOX15 (0.65) ALOX15KMT2AMEN1ALPLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470805-B2 Processes for preparing piperazinium salts of KMUP and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-06-25 US claimed
WO-2012031445-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (CN) 2012-03-15 WO claimed
US-20110136767-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-06-09 US claimed
US-20100317671-A1 XANTHINE-BASED CYCLIC GMP-ENHANCING RHO-KINASE INHIBITOR INHIBITS PHYSIOLOGICAL ACTIVITIES OF LUNG EPITHELIAL CELL LINE KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-12-16 US claimed
US-8497370-B2 Processes for preparing amine salts of sildenafil-analogues and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-07-30 US disclosed
US-8470805-B2 Processes for preparing piperazinium salts of KMUP and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-06-25 US disclosed
US-20120108604-A1 PROCESSES FOR PREPARING AMINE SALTS OF SILDENAFIL-ANALOGUES AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-05-03 US disclosed
WO-2012031445-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (CN) 2012-03-15 WO disclosed
US-20110136767-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-06-09 US disclosed
US-20100317671-A1 XANTHINE-BASED CYCLIC GMP-ENHANCING RHO-KINASE INHIBITOR INHIBITS PHYSIOLOGICAL ACTIVITIES OF LUNG EPITHELIAL CELL LINE KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-12-16 US disclosed
US-5166167-A Fungicides ROUSSEL UCLAF (FR) 1992-11-24 US 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-20110136767-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF U2SURP, RRP15, KYNU ALOX15 2407/4885KMT2A 216/4885MEN1 309/4885
US-20100317671-A1 XANTHINE-BASED CYCLIC GMP-ENHANCING RHO-KINASE INHIBITOR INHIBITS PHYSIOLOGICAL ACTIVITIES OF LUNG EPITHELIAL CELL LINE RHOA, PRKG1, ROCK1 ALOX15 1402/4885KMT2A 1131/4885MEN1 3775/4885
US-20120108604-A1 PROCESSES FOR PREPARING AMINE SALTS OF SILDENAFIL-ANALOGUES AND USE THEREOF PDE3A, PDE5A, PDE3B ALOX15 3441/4885KMT2A 2322/4885MEN1 324/4885

“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.