SCHEMBL4841620

SCHEMBL4841620

COc1ccc(C(=O)C2CC2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
AKR1C3 P42330 8/20 0.48
AKR1C2 P52895 8/20 0.48
KDM4E B2RXH2 3/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
KDM2B Q8NHM5 3/20 0.46
ABL1 P00519 1/20 0.45

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
SCHEMBL4839335 0.94 KDM2B (0.50) CPS1NPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL4131191 0.90 ALDH1A1 (0.53) CPS1NPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL7423445 0.88 KDM2B (0.50) CPS1NPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL383820 0.82 ALDH1A1 (0.66) NPC1RAB9ASMN1; SMN2AKR1C3AKR1C2
SCHEMBL4126643 0.82 NPC1 (0.53) CPS1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4133619 0.82 MAPT (0.66) CPS1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12859803 0.82 ALDH1A1 (0.58) CPS1NPC1RAB9AKDM4EALDH1A1
SCHEMBL4128370 0.81 SIGMAR1 (0.57) KDM4EPOLBALDH1A1MAPT
Benzene SCHEMBL29227606 0.81 ALDH1A1 (0.63) NPC1RAB9ASMN1; SMN2AKR1C3AKR1C2
SCHEMBL17682929 0.81 CPS1 (0.59) CPS1NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
CN-1953972-A 1-amino-phthalazine derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2007-04-25 CN 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 CPS1 180/4885NPC1 204/4885RAB9A 3275/4885

“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.