SCHEMBL4814972

SCHEMBL4814972

[CH]1c2cc(-c3ccccc3)cc(-c3ccccc3)c2-c2c(-c3ccccc3)ccc(-c3ccccc3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
XBP1 P17861 1/20 0.34
PTBP1 P26599 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
SMAD3 P84022 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL4822536 0.76 LMNA (0.33) LMNAMAPTHTTBACE1ALOX5
SCHEMBL1029673 0.73 ALDH1A1 (0.41) MEN1APAF1NPC1LMNAMAPT
SCHEMBL4821614 0.73 PTPN1 (0.36) PTPN1MEN1APAF1NPC1LMNA
SCHEMBL8928083 0.71 ALDH1A1 (0.50) PTPN1MEN1APAF1NPC1LMNA
SCHEMBL500204 0.69 ALDH1A1 (0.47) PTPN1MEN1APAF1NPC1LMNA
SCHEMBL1539778 0.68 ALDH1A1 (0.40) LMNAMAPTHTTBACE1ALOX5
Biphenyl SCHEMBL28876393 0.66 ALDH1A1 (0.56) MEN1APAF1NPC1LMNAMAPT
SCHEMBL9469384 0.65 BACE1 (0.58) PTPN1MEN1LMNAMAPTHTT
Water SCHEMBL10380491 0.64 BACE1 (0.50) PTPN1MEN1APAF1NPC1LMNA
SCHEMBL608536 0.63 ALDH1A1 (0.50) NPC1LMNAMAPTHTTRAB9A

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
EP-1337536-B1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2012-09-12 EP disclosed
US-7390861-B2 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-06-24 US disclosed
US-20040033891-A1 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. 2004-02-19 US disclosed
EP-1337536-A1 CATIONIC GROUP-3 CATALYST SYSTEM ExxonMobil Chemical Patents Inc. (US) 2003-08-27 EP disclosed
WO-2002032909-A1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-04-25 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-20040033891-A1 Cationic group-3 catalyst system COG3, ORC3, LIG3 PTPN1 4159/4885MEN1 1242/4885APAF1 2532/4885

“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.