SCHEMBL14015461

SCHEMBL14015461

Cc1ccc(C)c2nc3c4ccccc4c4ccccc4c3nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.50
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2A6 P11509 5/20 0.44
TSHR P16473 1/20 0.44
GPR3 P46089 1/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 2/20 0.38
ELANE P08246 1/20 0.38
TP53 P04637 1/20 0.38
BACE1 P56817 1/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL16204041 0.86 ALDH1A1 (0.42) CYP1A2ALDH1A1L3MBTL1CYP2A6TSHR
SCHEMBL668870 0.84 ALDH1A1 (0.50) CYP1A2ALDH1A1L3MBTL1CYP2A6TSHR
SCHEMBL11795067 0.81 MAPT (0.48) CYP1A2ALDH1A1L3MBTL1CYP2A6TSHR
SCHEMBL30471900 0.81 MAPT (0.48) CYP1A2ALDH1A1L3MBTL1CYP2A6TSHR
SCHEMBL12355748 0.81 MAPT (0.48) CYP1A2ALDH1A1L3MBTL1CYP2A6TSHR
SCHEMBL12578240 0.81 RAB9A (0.49) CYP1A2ALDH1A1CYP2A6GPR3MEN1
SCHEMBL18252753 0.79 GPR3 (0.52) CYP1A2ALDH1A1L3MBTL1CYP2A6TSHR
SCHEMBL1994979 0.79 MAPT (0.50) CYP1A2ALDH1A1L3MBTL1CYP2A6TSHR
SCHEMBL13167232 0.78 KDM1A (0.46) ALDH1A1L3MBTL1TSHRMEN1LMNA
SCHEMBL15471100 0.76 ALDH1A1 (0.42) CYP1A2ALDH1A1L3MBTL1CYP2A6GPR3

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-9303117-B2 Chemicals and the synthesizing methods thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-04-05 US disclosed
US-9303117-B2 Chemicals and the synthesizing methods thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-04-05 US disclosed
US-20150299382-A1 CHEMICALS AND THE SYNTHESIZING METHODS THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-10-22 US disclosed
US-20150299382-A1 CHEMICALS AND THE SYNTHESIZING METHODS THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-10-22 US disclosed
US-9096716-B2 Chemicals and the synthesizing methods thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-08-04 US disclosed
US-9096716-B2 Chemicals and the synthesizing methods thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-08-04 US disclosed
US-8969718-B2 Organic compound and solar cell using the same KABUSHIKI KAISHA TOSHIBA (JP) 2015-03-03 US disclosed
US-20150000745-A1 ORGANIC THIN FILM SOLAR CELL SEKISUI CHEMICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-8802975-B2 Compounds for organic thin-film solar cells and organic thin-film solar cells Wong, Ken-Tsung (TW) 2014-08-12 US disclosed
US-8802975-B2 Compounds for organic thin-film solar cells and organic thin-film solar cells Wong, Ken-Tsung (TW) 2014-08-12 US disclosed
US-8623993-B2 Chemicals and the synthesizing methods thereof NATIONAL CHAIO TUNG UNIVERSITY (TW) 2014-01-07 US disclosed
US-8623993-B2 Chemicals and the synthesizing methods thereof NATIONAL CHAIO TUNG UNIVERSITY (TW) 2014-01-07 US disclosed
US-20130255780-A1 ORGANIC COMPOUND AND SOLAR CELL USING THE SAME KABUSHIKI KAISHA TOSHIBA (JP) 2013-10-03 US disclosed
US-20130237676-A1 CHEMICALS AND THE SYNTHESIZING METHODS THEREOF NATION CHIAO TUNG UNIVERSITY (TW) 2013-09-12 US disclosed
US-20130237676-A1 CHEMICALS AND THE SYNTHESIZING METHODS THEREOF NATION CHIAO TUNG UNIVERSITY (TW) 2013-09-12 US disclosed
WO-2013016187-A1 COMPOUNDS FOR ORGANIC THIN-FILM SOLAR CELLS AND ORGANIC THIN-FILM SOLAR CELLS WONG KEN-TSUNG 2013-01-31 WO disclosed
US-20130019949-A1 COMPOUNDS FOR ORGANIC THIN-FILM SOLAR CELLS AND ORGANIC THIN-FILM SOLAR CELLS Lin, Hao-Wu 2013-01-24 US disclosed
US-20130019949-A1 COMPOUNDS FOR ORGANIC THIN-FILM SOLAR CELLS AND ORGANIC THIN-FILM SOLAR CELLS Lin, Hao-Wu 2013-01-24 US disclosed
US-20080262183-A1 Dithienopyrrole-containing copolymers HONEYWELL INTERNATIONAL INC 2008-10-23 US disclosed
US-20080262183-A1 Dithienopyrrole-containing copolymers HONEYWELL INTERNATIONAL INC 2008-10-23 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 (2 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-20130237676-A1 CHEMICALS AND THE SYNTHESIZING METHODS THEREOF PARG, CYP2J2, EPHA6 CYP1A2 88/4885ALDH1A1 599/4885L3MBTL1 1822/4885
US-20130019949-A1 COMPOUNDS FOR ORGANIC THIN-FILM SOLAR CELLS AND ORGANIC THIN-FILM SOLAR CELLS CDH1, FTO, SUN2 CYP1A2 828/4885ALDH1A1 624/4885L3MBTL1 4699/4885

“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.