SCHEMBL4841826

SCHEMBL4841826

COc1ccc(C(=O)c2ccc(OC)cc2C(=O)O)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 2/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
LTC4S Q16873 1/20 0.52
HPGD P15428 2/20 0.51
RAD52 P43351 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.51

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
SCHEMBL5307872 0.91 NPC1 (0.63) NPC1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL27183151 0.90 NPC1 (0.62) NPC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4840255 0.90 ALDH1A1 (0.69) NPC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL31575666 0.89 NPC1 (0.79) NPC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL285924 0.89 NPC1 (0.79) NPC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4840093 0.89 AKR1C3 (0.58) NPC1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL29399711 0.88 NPC1 (0.66) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2553094 0.88 NPC1 (0.66) NPC1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL154613 0.88 NPC1 (0.66) NPC1ALDH1A1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL5679748 0.86 NPC1 (0.64) NPC1ALDH1A1MEN1KMT2ARAB9A

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 NPC1 204/4885ALDH1A1 86/4885MEN1 866/4885

“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.