SCHEMBL1607911

SCHEMBL1607911

CC(=O)N1CC(C)(C)c2cc(C)ccc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.64
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
HSD17B3 P37058 1/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.40
AMPD2 Q01433 1/20 0.38

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
SCHEMBL430124 0.87 NOTUM (0.64) NOTUMMAPTKMT2AKDM4EMEN1
SCHEMBL6605105 0.84 NOTUM (0.64) NOTUMMAPTKMT2AKDM4EMEN1
Quinoline SCHEMBL27846212 0.83 NOTUM (0.52) NOTUMHSD17B3ALDH1A1CNR2
SCHEMBL6607583 0.83 NOTUM (0.62) NOTUMMAPTLMNAALDH1A1CNR2
SCHEMBL3025336 0.83 NOTUM (0.62) NOTUMHSD17B3CNR2AMPD2
SCHEMBL5461555 0.83 NOTUM (0.62) NOTUMMAPTKMT2AKDM4EMEN1
SCHEMBL6527995 0.83 NOTUM (0.62) NOTUMMAPTKMT2AKDM4EHSD17B3
SCHEMBL2204666 0.80 NOTUM (0.59) NOTUMMAPTKDM4EHSD17B3LMNA
SCHEMBL1654554 0.79 NOTUM (0.57) NOTUMMAPTKDM4EHTTLMNA
SCHEMBL6606078 0.79 NOTUM (0.57) NOTUMKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924395-A1 B!S(ARYL PHENOLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF ExxonMobil Chemical Patents Inc. (US) 2021-12-22 EP disclosed
US-11203654-B2 Bis(aryl phenolate) lewis base catalysts and methods thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-12-21 US disclosed
US-11203654-B2 Bis(aryl phenolate) lewis base catalysts and methods thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-12-21 US disclosed
CN-113423742-A Bis (arylphenolate) lewis base catalysts and processes thereof 埃克森美孚化学专利公司 2021-09-21 CN disclosed
WO-2020167824-A1 B!S(ARYL PHENOLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-08-20 WO disclosed
WO-2020167824-A1 B!S(ARYL PHENOLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-08-20 WO disclosed
US-20200254431-A1 BIS(ARYL PHENOLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF EXXONMOBIL CHEMICAL PATENTS INC. 2020-08-13 US disclosed
US-20200254431-A1 BIS(ARYL PHENOLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF EXXONMOBIL CHEMICAL PATENTS INC. 2020-08-13 US disclosed
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. 2011-04-07 US disclosed
US-7704667-B2 Dyes and use thereof in imaging members and methods ZINK IMAGING, INC. (US) 2010-04-27 US disclosed
WO-2009097433-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. (US) 2009-08-06 WO disclosed
US-20080187866-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, LLC 2008-08-07 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 (3 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-11203654-B2 Bis(aryl phenolate) lewis base catalysts and methods thereof PHKB, TYR, ELL NOTUM 1573/4885MAPT 2984/4885KMT2A 1420/4885
US-20080187866-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 NOTUM 1290/4885MAPT 423/4885KMT2A 4563/4885
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 NOTUM 1290/4885MAPT 423/4885KMT2A 4563/4885

“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.