SCHEMBL16440503

SCHEMBL16440503

CC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)s2)s1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
YEATS4 O95619 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PRMT6 Q96LA8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL18506905 0.83 LMNA (0.42) MAPK1KMT2AALDH1A1LMNATSHR
SCHEMBL45873 0.83 MAPK1 (0.36) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL1522621 0.81 YEATS4 (0.37) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL11922152 0.81 MAPK1 (0.35) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL9829813 0.81 MAPK1 (0.35) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL10211605 0.81 KMT2A (0.47) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL14241961 0.81 MAPK1 (0.35) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL2694202 0.81 CYP2E1 (0.45) MAPK1KMT2A
SCHEMBL18532092 0.79 KMT2A (0.34) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL47581 0.78 MAPK1 (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180159052-A1 ELECTRONIC DEVICES USING ORGANIC SMALL MOLECULE SEMICONDUCTING COMPOUNDS NEXT ENERGY TECHNOLOGIES, INC. (US) 2018-06-07 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-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

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-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-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.