SCHEMBL21247563

SCHEMBL21247563

CC(C)(C)c1cc(N)c2c(N)cc(C(C)(C)C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ HTR1D P28221 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ HTR1B P28222 1/20 0.32
▸ HPGD P15428 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL30625043 1.00 POLB (0.46) POLBMAPTALDH1A1GAAMEN1
SCHEMBL29839401 0.83 GAA (0.41) POLBMAPTALDH1A1GAAMEN1
SCHEMBL29278310 0.79 POLB (0.41) POLBMAPTALDH1A1GAAMEN1
SCHEMBL12202121 0.79 POLB (0.42) POLBMAPTALDH1A1GAAMEN1
SCHEMBL16022231 0.76 POLB (0.59) POLBMAPTALDH1A1GAAMEN1
SCHEMBL9177135 0.74 POLB (0.56) POLBMAPTALDH1A1GAAMEN1
SCHEMBL40334 0.74 GABRA1 (0.42) POLBMAPTALDH1A1GAAKDM4E
SCHEMBL18365182 0.73 ALDH1A1 (0.53) POLBMAPTALDH1A1GAAMEN1
SCHEMBL2593638 0.73 POLB (0.55) POLBMAPTALDH1A1GAAMEN1
SCHEMBL11869415 0.72 ALDH1A1 (0.58) POLBMAPTALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656773-B1 POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE, FLUORESCENT MATERIAL, PHOSPHORESCENT MATERIAL, AND LIGHT-MODULATING MATERIAL SEKISUI CHEMICAL CO LTD (JP) 2024-04-17 — — EP disclosed
CN-111448280-B Photosensitizing agent and active energy ray-curable composition 积水化学工业株式会社 2023-10-27 — — CN disclosed
US-11673994-B2 Photosensitizer and active energy ray-curable composition SEKISUI CHEMICAL CO., LTD. (JP) 2023-06-13 — — US disclosed
US-11078209-B2 Polycyclic aromatic hydrocarbon derivative, fluorescent material, phosphorescent material, and light-modulating material SEKISUI CHEMICAL CO., LTD. (JP) 2021-08-03 — — US disclosed
EP-3750968-A1 PHOTOSENSITIZER AND ACTIVE ENERGY RAY-CURABLE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2020-12-16 — — EP disclosed
US-20200385516-A1 PHOTOSENSITIZER AND ACTIVE ENERGY RAY-CURABLE COMPOSITION HIROSHIMA UNIVERSITY (JP) 2020-12-10 — — US disclosed
US-20200207777-A1 POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE, FLUORESCENT MATERIAL, PHOSPHORESCENT MATERIAL, AND LIGHT-MODULATING MATERIAL SEKISUI CHEMICAL CO., LTD. (JP) 2020-07-02 — — US disclosed
EP-3656773-A1 POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE, FLUORESCENT MATERIAL, PHOSPHORESCENT MATERIAL, AND LIGHT-MODULATING MATERIAL Sekisui Chemical Co., Ltd. (JP) 2020-05-27 — — EP disclosed
WO-2019155989-A1 PHOTOSENSITIZER AND ACTIVE ENERGY RAY-CURABLE COMPOSITION 積水化学工業株式会社 2019-08-15 — — WO disclosed
US-9422284-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2016-08-23 — — 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-20200207777-A1 POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE, FLUORESCENT MATERIAL, PHOSPHORESCENT MATERIAL, AND LIGHT-MODULATING MATERIAL AHR, ARNT, PAH POLB 2739/4885MAPT 1802/4885ALDH1A1 1108/4885
US-11078209-B2 Polycyclic aromatic hydrocarbon derivative, fluorescent material, phosphorescent material, and light-modulating material AHR, ARNT, PAH POLB 2739/4885MAPT 1802/4885ALDH1A1 1108/4885

“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.

Send feedback