SCHEMBL20349986

SCHEMBL20349986

CC(C)(C)CC(C)(C)c1cc(Nc2ccccc2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 1/20 0.36
POLB P06746 3/20 0.36
IDH1 O75874 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
SHBG P04278 1/20 0.33
KDM4E B2RXH2 3/20 0.31
LRRK2 Q5S007 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACP1 P24666 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL18375844 0.93 NPC1 (0.42) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL29895932 0.93 NPC1 (0.42) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL105359 0.89 NPC1 (0.39) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL29895632 0.88 PIK3CG (0.36) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL18375770 0.88 PIK3CG (0.36) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL18374917 0.87 NPC1 (0.41) NPC1RAB9ALMNAPOLBIDH1
SCHEMBL17941213 0.86 MAPK14 (0.40) NPC1RAB9APOLBMAPTMEN1
SCHEMBL28467025 0.85 ACLY (0.36) MAPT
SCHEMBL20337191 0.85 NPC1 (0.32) NPC1RAB9APOLBIDH1MAPT
SCHEMBL20349885 0.84 ACP1 (0.36) LMNAPOLBKDM4EACP1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053373-B2 Polymeric matrices with ionic additives 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-07-06 US disclosed
US-10919867-B2 Substituted benzotriazole phenols 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-02-16 US disclosed
US-10724171-B2 Electret webs with charge-enhancing additives 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-07-28 US disclosed
US-10669481-B2 Substituted benzotriazole phenolate salts and antioxidant compositions formed therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-06-02 US disclosed
EP-3320135-B1 ELECTRET WEBS WITH CHARGE-ENHANCING ADDITIVES 3M INNOVATIVE PROPERTIES CO (US) 2019-08-28 EP disclosed
US-20190003112-A1 ELECTRET WEBS WITH CHARGE-ENHANCING ADDITIVES 3M INNOVATIVE PROPERTIES COMPANY 2019-01-03 US disclosed
US-20180195000-A1 SUBSTITUTED BENZOTRIAZOLE PHENOLATE SALTS AND ANTIOXIDANT COMPOSITIONS FORMED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2018-07-12 US disclosed
US-20180186757-A1 SUBSTITUTED BENZOTRIAZOLE PHENOLS 3M INNOVATIVE PROPERTIES COMPANY 2018-07-05 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 (4 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-20180186757-A1 SUBSTITUTED BENZOTRIAZOLE PHENOLS TYR, COMT, TH NPC1 4473/4885RAB9A 4635/4885LMNA 4411/4885
US-10919867-B2 Substituted benzotriazole phenols TYR, COMT, TH NPC1 4473/4885RAB9A 4635/4885LMNA 4411/4885
US-10669481-B2 Substituted benzotriazole phenolate salts and antioxidant compositions formed therefrom COMT, OGFOD1, TYR NPC1 4227/4885RAB9A 4875/4885LMNA 3383/4885
US-20180195000-A1 SUBSTITUTED BENZOTRIAZOLE PHENOLATE SALTS AND ANTIOXIDANT COMPOSITIONS FORMED THEREFROM COMT, OGFOD1, TYR NPC1 4227/4885RAB9A 4875/4885LMNA 3383/4885

“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.