SCHEMBL1004222

SCHEMBL1004222

Brc1cc2c3c(ccc4cccc(c43)C2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
TSHR P16473 2/20 0.65
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP2A6 P11509 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP1B1 Q16678 3/20 0.37
CYP1A1 P04798 2/20 0.37
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL979829 0.88 CYP3A4 (0.42) CYP3A4TSHRALDH1A1KDM4ECYP2A6
SCHEMBL598499 0.81 TSHR (1.00) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL30352929 0.81 TSHR (1.00) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL30001721 0.79 TSHR (0.94) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL4846405 0.79 TSHR (0.94) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL730070 0.79 ALDH1A1 (0.61) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL4853795 0.78 TSHR (0.68) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL5390002 0.76 NPSR1 (0.41) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL9956579 0.73 TSHR (0.83) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL13725894 0.73 PRNP (0.39) CYP3A4TSHRCYP2A6NPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9773987-B2 Silicon-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-09-26 US disclosed
US-9773987-B2 Silicon-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-09-26 US disclosed
US-9627634-B2 Heterocyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-04-18 US disclosed
US-9567287-B2 Compound for organic light-emitting diode and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-14 US disclosed
US-9567287-B2 Compound for organic light-emitting diode and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-14 US disclosed
US-9537108-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-03 US disclosed
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed
US-20150349265-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT- EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-03 US disclosed
US-20150349265-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT- EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-03 US disclosed
US-7854999-B2 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-12-21 US disclosed
US-20090092853-A1 Cyclopentaphenanthrene-based compound and organic light emitting device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2009-04-09 US disclosed
US-20090092853-A1 Cyclopentaphenanthrene-based compound and organic light emitting device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2009-04-09 US disclosed
US-20090092853-A1 Cyclopentaphenanthrene-based compound and organic light emitting device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2009-04-09 US disclosed
US-20080100207-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-05-01 US disclosed
US-20080100207-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-05-01 US disclosed
US-20080100207-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-05-01 US disclosed
US-20080079356-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-04-03 US disclosed
US-20080079356-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-04-03 US disclosed
US-20080079356-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-04-03 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-20090092853-A1 Cyclopentaphenanthrene-based compound and organic light emitting device employing the same ABCB1, ARNT, PPOX CYP3A4 34/4885TSHR 4738/4885ALDH1A1 1091/4885
US-20080100207-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same PPOX, EML4, DDT CYP3A4 50/4885TSHR 4775/4885ALDH1A1 861/4885
US-20080079356-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same PPOX, EML4, ALPL CYP3A4 51/4885TSHR 4774/4885ALDH1A1 835/4885

“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.