SCHEMBL6312903

SCHEMBL6312903

COc1cccc2cc(Br)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACHE P22303 4/20 0.51
BCHE P06276 2/20 0.49
NQO1 P15559 1/20 0.48
APAF1 O14727 1/20 0.46
TDP2 O95551 1/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
CYP2A6 P11509 1/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL4310484 0.85 ACHE (0.55) KDM4EALDH1A1HPGDHSD17B10ACHE
SCHEMBL24801284 0.81 CYP2A6 (0.43) KDM4EALDH1A1HPGDHSD17B10ACHE
SCHEMBL29919905 0.79 NQO1 (0.67) KDM4EALDH1A1HPGDHSD17B10ACHE
SCHEMBL8393507 0.79 NQO1 (0.67) KDM4EALDH1A1HPGDHSD17B10ACHE
SCHEMBL29869216 0.78 CYP1A2 (0.57) KDM4EALDH1A1HPGDHSD17B10ACHE
SCHEMBL1402278 0.78 NQO1 (0.50) KDM4EALDH1A1HPGDHSD17B10ACHE
SCHEMBL8157352 0.78 CYP1A2 (0.59) KDM4EALDH1A1HPGDHSD17B10ACHE
SCHEMBL19208975 0.78 NQO2 (0.50) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL24773765 0.78 ACHE (0.53) KDM4EALDH1A1HPGDHSD17B10ACHE
SCHEMBL443271 0.78 CYP1A2 (0.57) KDM4EALDH1A1HPGDHSD17B10ACHE

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678532-B Organic photochromic dye and use thereof for dye sensitized solar cells 法国原子能源和替代能源委员会 2023-11-03 CN disclosed
US-20230354692-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
US-20230354692-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
US-20230354692-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
US-11778897-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-10-03 US disclosed
US-11778897-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-10-03 US disclosed
US-11778897-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-10-03 US disclosed
EP-3609976-B1 ORGANIC PHOTOCHROMIC DYE AND USES THEREOF FOR DYE SENSITIZED SOLAR CELLS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2022-08-24 EP disclosed
CN-107406414-B (piperidin-3-yl) (naphthalen-2-yl) methanone derivatives as inhibitors of histone demethylase KDM2B for the treatment of cancer 基因泰克公司 2022-04-19 CN disclosed
US-11248123-B2 Organic photochromic dye and uses thereof for dye sensitized solar cells COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2022-02-15 US disclosed
CN-1312151-C (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker HOFFMANN LA ROCHE (CH) 2007-04-25 CN disclosed
US-20050272786-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents WYETH (US) 2005-12-08 US disclosed
US-6960607-B2 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents WYETH (US) 2005-11-01 US disclosed
CN-1653062-A (imidazol-1-yl-methyl)-pyridazine as NMDA receptor blocker HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
US-20030171412-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents WYETH 2003-09-11 US disclosed
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP disclosed
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 EP disclosed
EP-0416038-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED. TROPIX INC (US) 1991-03-13 EP disclosed
US-4952707-A DECOMPOSITION TO LIGHT EMITTING FLUOROPHORE; ANALYSIS TROPIX, INC. (US) 1990-08-28 US disclosed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 WO 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 (4 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-11778897-B2 Organic electroluminescent materials and devices LIFR, LBR, ZFR KDM4E 1788/4885ALDH1A1 2258/4885HPGD 4453/4885
US-20030171412-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents ESR1, ESR2, ESRRA KDM4E 1150/4885ALDH1A1 702/4885HPGD 2180/4885
US-20050272786-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents ESR1, ESRRA, ESR2 KDM4E 973/4885ALDH1A1 538/4885HPGD 1972/4885
US-20230354692-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, LBR, ZFR KDM4E 1788/4885ALDH1A1 2258/4885HPGD 4453/4885

“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.