SCHEMBL9724394

SCHEMBL9724394

CCOC(=O)Cc1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.62
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGER4 P35408 1/20 0.53
PTGER2 P43116 1/20 0.53
RXRA P19793 1/20 0.52

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
SCHEMBL9416619 0.95 APP (0.56) APPNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6366353 0.92 NPC1 (0.59) APPNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2390980 0.90 LMNA (0.54) APPNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL29066085 0.88 MTNR1A (0.62) APPNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL5881099 0.88 APP (0.73) APPNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3782064 0.86 LMNA (0.55) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8607887 0.86 ALDH1A1 (0.49) APPNPC1RAB9ASMN1; SMN2PKM
SCHEMBL1114985 0.85 NPC1 (0.63) APPNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL31011346 0.85 NPC1 (0.63) APPNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6281909 0.85 CYP1A2 (0.64) NPC1HPGDMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336259-A1 PHENOLIC COMPOUNDS WITH ANTIOXIDANT AND ANTI-CANCER PROPERTIES, ANALOGS AND SYNTHESIS THEREOF FEDERATION DES PRODUCTEURS ACERICOLES DU QUEBEC (CA) 2014-11-13 US disclosed
WO-2012167364-A1 PHENOLIC COMPOUNDS WITH ANTIOXIDANT AND ANTI-CANCER PROPERTIES, ANALOGS AND SYNTHESIS THEREOF FÉDÉRATION DES PRODUCTEURS ACÉRICOLES DU QUÉBEC (CA) 2012-12-13 WO disclosed
CN-1129604-C Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2003-12-03 CN disclosed
CN-1226895-A Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 1999-08-25 CN disclosed
US-5158948-A Treating neurological and psychological disorders ABBOTT LABORATORIES (US) 1992-10-27 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 (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-20140336259-A1 PHENOLIC COMPOUNDS WITH ANTIOXIDANT AND ANTI-CANCER PROPERTIES, ANALOGS AND SYNTHESIS THEREOF GPX1, CAT, GPX4 APP 1978/4885NPC1 2108/4885RAB9A 1865/4885

“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.