SCHEMBL11922152

SCHEMBL11922152

CC(C)(C)Cc1ccc(C(C)(C)C)s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
YEATS4 O95619 1/20 0.33
ESR1 P03372 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL16440503 0.81 MAPK1 (0.37) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL45873 0.79 MAPK1 (0.36) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL10211764 0.78 CYP2C19 (0.45) MAPK1KMT2AYEATS4RAB9A
SCHEMBL13252961 0.78 MAPK1 (0.33) MAPK1KMT2AYEATS4
SCHEMBL1522621 0.77 YEATS4 (0.37) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL9829813 0.77 MAPK1 (0.35) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL14241961 0.77 MAPK1 (0.35) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL2694202 0.77 CYP2E1 (0.45) MAPK1KMT2A
SCHEMBL10211605 0.77 KMT2A (0.47) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL18349188 0.77 KMT2A (0.44) MAPK1KMT2AYEATS4NPC1RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225184-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-13 US disclosed
US-10314802-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2019-06-11 US disclosed
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
US-20180153861-A1 METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-06-07 US disclosed
US-20180153861-A1 METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-06-07 US disclosed
US-20180159052-A1 ELECTRONIC DEVICES USING ORGANIC SMALL MOLECULE SEMICONDUCTING COMPOUNDS NEXT ENERGY TECHNOLOGIES, INC. (US) 2018-06-07 US disclosed
US-9867811-B2 Method of treating atherosclerosis in high triglyceride subjects NOVARTIS AG (CH) 2018-01-16 US disclosed
US-9867811-B2 Method of treating atherosclerosis in high triglyceride subjects NOVARTIS AG (CH) 2018-01-16 US disclosed
US-9865821-B2 Organic semiconducting compounds for use in organic electronic devices NEXT ENERGY TECHNOLOGIES, INC. (US) 2018-01-09 US disclosed
US-9744147-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2017-08-29 US disclosed
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof SIGNUM DERMALOGIX, INC. 2016-12-15 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 US disclosed
US-9376383-B2 Isoprenyl compounds SIGNUM BIOSCIENCES, INC. (US) 2016-06-28 US disclosed
US-20160020413-A1 ELECTRONIC DEVICES USING ORGANIC SMALL MOLECULE SEMICONDUCTING COMPOUNDS NEXT ENERGY TECHNOLOGIES, INC. 2016-01-21 US disclosed
US-20150034161-A1 ORGANIC SEMICONDUCTING COMPOUNDS FOR USE IN ORGANIC ELECTRONIC DEVICES NEXT ENERGY TECHNOLOGIES, INC. 2015-02-05 US disclosed
US-20140134262-A1 METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2014-05-15 US disclosed
US-20130310559-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES, INC. (US) 2013-11-21 US disclosed
US-8372884-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. 2013-02-12 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
US-20100184768-A1 Isoprenyl Compounds and Methods Thereof SIGNUM BIOSCIENCES, INC. (US) 2010-07-22 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 (13 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 MAPK1 382/4885KMT2A 1654/4885YEATS4 1625/4885
US-20230225184-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ESRRG, TECR, OXSR1 MAPK1 631/4885KMT2A 3601/4885YEATS4 1866/4885
US-20140134262-A1 METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS CETP, MTTP, APOB MAPK1 3652/4885KMT2A 3036/4885YEATS4 1266/4885
US-20180159052-A1 ELECTRONIC DEVICES USING ORGANIC SMALL MOLECULE SEMICONDUCTING COMPOUNDS SLC43A1, SLC7A5, EPCAM MAPK1 3779/4885KMT2A 1058/4885YEATS4 373/4885
US-20150034161-A1 ORGANIC SEMICONDUCTING COMPOUNDS FOR USE IN ORGANIC ELECTRONIC DEVICES OR10J3, EPCAM, TRPA1 MAPK1 4189/4885KMT2A 2105/4885YEATS4 610/4885
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof ALOX15B, ALOX15, ALOX5 MAPK1 3315/4885KMT2A 4130/4885YEATS4 2816/4885
US-20180153861-A1 METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS CETP, MTTP, APOB MAPK1 3346/4885KMT2A 3013/4885YEATS4 1099/4885
US-20100184768-A1 Isoprenyl Compounds and Methods Thereof ALOX15B, ALOX15, ALOX5 MAPK1 3315/4885KMT2A 4130/4885YEATS4 2816/4885
US-10314802-B2 Isoprenyl compounds and methods thereof ALOX15B, ALOX15, ALOX5 MAPK1 3315/4885KMT2A 4130/4885YEATS4 2816/4885
US-20130310559-A1 ISOPRENYL COMPOUNDS AND METHODS THEREOF ALOX15B, ALOX15, ALOX5 MAPK1 3315/4885KMT2A 4130/4885YEATS4 2816/4885
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors PDK1, PDK2, PDK3 MAPK1 382/4885KMT2A 1654/4885YEATS4 1625/4885
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 MAPK1 382/4885KMT2A 1654/4885YEATS4 1625/4885
US-20160020413-A1 ELECTRONIC DEVICES USING ORGANIC SMALL MOLECULE SEMICONDUCTING COMPOUNDS SLC43A1, SLC7A5, EPCAM MAPK1 3779/4885KMT2A 1058/4885YEATS4 373/4885

“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.