SCHEMBL12367607

SCHEMBL12367607

Brc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
MAPK1 P28482 2/20 1.00
TDP1 Q9NUW8 2/20 0.62
NPC1 O15118 1/20 0.62
NFKB1 P19838 1/20 0.62
RAB9A P51151 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP2A6 P11509 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
TAAR1 Q96RJ0 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MMP3 P08254 1/20 0.50
BCL2L1 Q07817 1/20 0.50
DGAT1 O75907 1/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48

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
Benzene SCHEMBL28146964 1.00 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1NPC1NFKB1
SCHEMBL366308 1.00 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1NPC1NFKB1
Biphenyl SCHEMBL28399886 1.00 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1NPC1NFKB1
SCHEMBL4691 1.00 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1NPC1NFKB1
SCHEMBL18270367 1.00 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1NPC1NFKB1
SCHEMBL25374262 1.00 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1NPC1NFKB1
SCHEMBL17277082 1.00 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1NPC1NFKB1
Water SCHEMBL5359213 0.97 ALDH1A1 (0.94) ALDH1A1MAPK1TDP1NPC1NFKB1
SCHEMBL28539439 0.97 ALDH1A1 (0.94) ALDH1A1MAPK1TDP1NPC1NFKB1
SCHEMBL3819507 0.97 ALDH1A1 (0.94) ALDH1A1MAPK1TDP1NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024526-B2 Fused polycyclic aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-07-02 US disclosed
US-12024526-B2 Fused polycyclic aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-07-02 US disclosed
US-20230047095-A1 Fused Polycyclic Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-02-16 US disclosed
CN-113292514-B Piperazine derivative and organic photoelectric device comprising same 浙江华显光电科技有限公司 2022-11-15 CN disclosed
CN-113292514-A Piperazine derivative and organic photoelectric device comprising same 浙江华显光电科技有限公司 2021-08-24 CN disclosed
US-20170331067-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS SAMSUNG SDI CO., LTD. (KR) 2017-11-16 US disclosed
US-20170331067-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS SAMSUNG SDI CO., LTD. (KR) 2017-11-16 US disclosed
US-20160351822-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-12-01 US disclosed
US-20160351822-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-12-01 US disclosed
US-20160301012-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-10-13 US disclosed
US-20160301012-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-10-13 US disclosed
EP-2348017-B1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME MITSUI CHEMICALS INC (JP) 2015-09-23 EP disclosed
US-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME MITSUI CHEMICALS, INC. (JP) 2011-08-18 US disclosed
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME MITSUI CHEMICALS, INC. (JP) 2011-08-18 US disclosed
US-20070167654-A1 Aromatic amine derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-07-19 US disclosed
US-20070167654-A1 Aromatic amine derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-07-19 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 (7 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-12024526-B2 Fused polycyclic aromatic compound AHR, PAH, H1-2 ALDH1A1 2059/4885MAPK1 2187/4885TDP1 2789/4885
US-20170331067-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS ALDH1A2, AOX1, AOC2 ALDH1A1 22/4885MAPK1 1160/4885TDP1 4399/4885
US-20160301012-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OR51E2 ALDH1A1 230/4885MAPK1 509/4885TDP1 3150/4885
US-20160351822-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE OCIAD1, OXER1, OCIAD2 ALDH1A1 59/4885MAPK1 379/4885TDP1 2519/4885
US-20230047095-A1 Fused Polycyclic Aromatic Compound AHR, PAH, H1-2 ALDH1A1 2025/4885MAPK1 2553/4885TDP1 2893/4885
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AOC2, NAT1, ALKBH1 ALDH1A1 51/4885MAPK1 1401/4885TDP1 702/4885
US-20070167654-A1 Aromatic amine derivative and organic electroluminescence device employing the same TYR, DDC, MAOA ALDH1A1 315/4885MAPK1 2009/4885TDP1 967/4885

“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.