SCHEMBL4131191

SCHEMBL4131191

COc1ccc(C(=O)C2CCOCC2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CPS1 P31327 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
KDM2B Q8NHM5 4/20 0.44
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 4/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGDS O60760 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
SLC16A3 O15427 1/20 0.41

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
SCHEMBL4841620 0.90 CPS1 (0.52) ALDH1A1CPS1SMN1; SMN2KDM4EMAPT
SCHEMBL4839335 0.87 KDM2B (0.50) ALDH1A1CPS1SMN1; SMN2KDM4EMAPT
SCHEMBL7423445 0.81 KDM2B (0.50) ALDH1A1CPS1SMN1; SMN2KDM4EMAPT
SCHEMBL383820 0.77 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4ELMNAAKR1C3
SCHEMBL16861595 0.76 NPC1 (0.71) ALDH1A1SMN1; SMN2KDM4ELMNAKDM2B
SCHEMBL4128370 0.75 SIGMAR1 (0.57) ALDH1A1KDM4EMAPTPOLB
Benzene SCHEMBL29227606 0.75 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ELMNAAKR1C3
SCHEMBL7351022 0.75 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL5307872 0.73 NPC1 (0.63) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL4126643 0.73 NPC1 (0.53) ALDH1A1CPS1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR ALDH1A1 60/4885CPS1 1441/4885SMN1; SMN2 2592/4885

“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.