SCHEMBL2539931

SCHEMBL2539931

CC1(C)c2ccc3ccccc3c2-c2c1ccc1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 3/20 0.47
HPRT1 P00492 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 2/20 0.41
CYP1B1 Q16678 1/20 0.41
WDR5 P61964 1/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL21130128 0.86 MAPT (0.40) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL29892420 0.86 DNMT1 (0.42) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL13765088 0.86 DNMT1 (0.42) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL24268281 0.86 MEN1 (0.39) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL17690006 0.86 ALDH1A1 (0.47) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL17852125 0.86 MEN1 (0.39) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL21297446 0.85 MEN1 (0.40) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL20419970 0.85 MAPT (0.39) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL12859974 0.84 TRPM4 (0.43) HSD17B10MAPTMEN1KMT2ALMNA
SCHEMBL12236187 0.84 MAPT (0.36) CYP2A6ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9461260-B2 Organic light emitting device CANON KABUSHIKI KAISHA (JP) 2016-10-04 US disclosed
US-9331296-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-05-03 US disclosed
US-9230827-B2 Method for forming a resist under layer film and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-05 US disclosed
US-20140335692-A1 METHOD FOR FORMING A RESIST UNDER LAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-13 US disclosed
US-8835092-B2 Resist underlayer film composition, process for forming resist underlayer film, patterning process and fullerene derivative SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-16 US disclosed
US-20130264550-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-10-10 US disclosed
US-8431249-B2 Dibenzo[C,G]fluorene compound and organic light-emitting device using same CANON KABUSHIKI KAISHA (JP) 2013-04-30 US disclosed
US-20130001542-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
US-20110260150-A1 DIBENZO[C,G]FLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 2011-10-27 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 (1 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-20110260150-A1 DIBENZO[C,G]FLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME GNG2, RARG, FRG1 CYP2A6 2278/4885ALDH1A1 2076/4885TSHR 3531/4885

“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.