SCHEMBL5221473

SCHEMBL5221473

CCCCOc1cccc(C(=O)OCC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
NPC1 O15118 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 2/20 0.59
SMPD1 P17405 3/20 0.58
PLA2G4B P0C869 1/20 0.58
THRB P10828 2/20 0.57
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54

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
SCHEMBL12255182 0.95 SMPD1 (0.64) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL15766601 0.94 SMPD1 (0.67) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL15766529 0.94 SMPD1 (0.67) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL22438949 0.94 SMPD1 (0.67) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL17961071 0.92 KMT2A (0.60) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL931897 0.92 KMT2A (0.69) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL2473808 0.90 L3MBTL1 (0.60) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL15344575 0.90 CYP1A2 (0.56) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL15344609 0.90 KMT2A (0.66) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL2930796 0.88 TDP1 (0.59) TDP1L3MBTL1CYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139366-A1 BRARTEMICIN ANALOGUES VICTORIA LINK LIMITED (NZ) 2023-05-04 US disclosed
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-08-11 US disclosed
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-06-02 US disclosed
US-9133154-B2 Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-09-15 US disclosed
WO-2014164905-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-09 WO disclosed
US-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-09-18 US disclosed
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-06-19 US disclosed
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-06-19 US disclosed
US-7355051-B2 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2008-04-08 US disclosed
US-7355051-B2 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2008-04-08 US disclosed
EP-1472215-A4 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-05-09 EP disclosed
US-20070093659-A1 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-04-26 US disclosed
US-20070093659-A1 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-04-26 US disclosed
US-6949574-B2 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
WO-2005058873-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2005-06-16 US disclosed
EP-1472215-A2 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-11-03 EP disclosed
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2003-10-16 US disclosed
WO-2003065989-A2 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-14 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 (8 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-20230139366-A1 BRARTEMICIN ANALOGUES RXFP1, RXFP2, RXFP4 TDP1 4879/4885L3MBTL1 4715/4885NPC1 4100/4885
US-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 TDP1 197/4885L3MBTL1 1937/4885NPC1 208/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 TDP1 197/4885L3MBTL1 1937/4885NPC1 208/4885
US-20070093659-A1 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication NQO2, NOX1, NOX3 TDP1 4032/4885L3MBTL1 1353/4885NPC1 3380/4885
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION NQO2, NOX3, NOX1 TDP1 3986/4885L3MBTL1 1050/4885NPC1 3594/4885
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 TDP1 949/4885L3MBTL1 2799/4885NPC1 1367/4885
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 TDP1 949/4885L3MBTL1 2799/4885NPC1 1367/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 TDP1 197/4885L3MBTL1 1937/4885NPC1 208/4885

“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.