SCHEMBL3455245

SCHEMBL3455245

COc1cccc(-c2ccccc2-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.60
ABCB1 P08183 2/20 0.60
BCR P11274 2/20 0.60
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
CYP1A1 P04798 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2E1 P05181 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C8 P10632 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2A6 P11509 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP4B1 P13584 2/20 0.53
CYP2B6 P20813 2/20 0.53
CYP3A5 P20815 2/20 0.53
CYP2A7 P20853 2/20 0.53
CYP3A7 P24462 2/20 0.53
CYP2F1 P24903 2/20 0.53
CYP2C18 P33260 2/20 0.53

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
SCHEMBL2020140 0.96 ABL1 (0.59) ABL1ABCB1BCRADORA2AADORA1
SCHEMBL13211663 0.92 ABL1 (0.60) ABL1ABCB1BCRADORA2AADORA1
SCHEMBL10023268 0.86 ACHE (0.64) ABL1ABCB1BCRADORA2AADORA1
SCHEMBL2876291 0.85 CLK4 (0.56) ABL1ABCB1BCRADORA2AADORA1
SCHEMBL458391 0.85 CYP1A1 (0.64) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL29740761 0.85 CYP1A1 (0.64) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL5849737 0.84 CYP1A1 (0.65) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL321834 0.84 CASR (0.57) ABL1ABCB1BCRADORA2AADORA1
SCHEMBL14118224 0.83 CD274 (0.60) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL14528682 0.83 FABP4 (0.65) ABL1ABCB1BCRADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10153450-B2 Fused aromatic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-12-11 US disclosed
EP-2213641-B1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO (JP) 2018-05-16 EP disclosed
US-20140061628-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-03-06 US disclosed
US-20140061628-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-03-06 US disclosed
US-8623520-B2 Fused aromatic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-07 US disclosed
US-8623520-B2 Fused aromatic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-07 US disclosed
US-8623520-B2 Fused aromatic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-07 US disclosed
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
EP-2213641-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-04 EP disclosed
US-4213153-A Process for the optical display of information using lasers Max-planck-Gesellschaft zur Fordenberg der Wissenschaften e.V. (DE) 1980-07-15 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-10153450-B2 Fused aromatic derivative and organic electroluminescence device using the same NRAS, RSU1, RAP1A ABL1 757/4885ABCB1 3458/4885BCR 320/4885
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME NRAS, RSU1, RAP1A ABL1 757/4885ABCB1 3458/4885BCR 320/4885

“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.