SCHEMBL3415294

SCHEMBL3415294

OB(O)c1ccc(-c2cc3c4ccccc4c4ccccc4c3c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA1 P00915 4/20 0.50
MGLL Q99685 2/20 0.50
ENPP2 Q13822 3/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TRPV1 Q8NER1 3/20 0.36
TSHR P16473 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MPI P34949 1/20 0.34

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
SCHEMBL2469655 0.81 CA1 (0.50) CA2CA1MGLLENPP2CA4
SCHEMBL2902991 0.80 CA1 (0.46) CA2CA1MGLLENPP2CA4
SCHEMBL30918780 0.76 CA2 (0.71) CA2CA1MGLLENPP2CA4
SCHEMBL20591241 0.76 CA2 (0.71) CA2CA1MGLLENPP2CA4
SCHEMBL3415295 0.75 ALDH1A1 (0.46) CA2CA1MGLLENPP2CA4
SCHEMBL23312667 0.75 CA2 (0.61) CA2CA1MGLLENPP2CA4
SCHEMBL3419701 0.75 ALDH1A1 (0.44) ALDH1A1MAPT
SCHEMBL30040853 0.75 CA2 (0.61) CA2CA1MGLLENPP2CA4
SCHEMBL19057545 0.75 CA2 (0.61) CA2CA1MGLLENPP2CA4
SCHEMBL9889162 0.74 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213640-B1 BENZOCHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO (JP) 2016-10-05 EP disclosed
US-8253129-B2 Benzochrysene derivative and an organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-08-28 US disclosed
US-8253129-B2 Benzochrysene derivative and an organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-08-28 US disclosed
US-8253129-B2 Benzochrysene derivative and an organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-08-28 US disclosed
US-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
US-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
US-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
EP-2213640-A1 BENZOCHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-04 EP 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-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KSR1, NRAS, RSU1 CA2 2106/4885CA1 2173/4885MGLL 4693/4885

“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.