SCHEMBL3160653

SCHEMBL3160653

C1=C(c2cccc3ccccc23)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
PTGS2 P35354 1/20 0.45
ELANE P08246 1/20 0.43
GRM2 Q14416 1/20 0.41
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PSMB5 P28074 5/20 0.39
HPGD P15428 2/20 0.38
PSMB1 P20618 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
GALR1 P47211 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KDM1A O60341 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL9620885 0.98 ELANE (0.46) TDP1PTGS2ELANEGRM2SLC6A3
SCHEMBL28777035 0.94 GRM2 (0.46) TDP1PTGS2ELANEGRM2SLC6A3
SCHEMBL7166811 0.84 SLC6A3 (0.44) TDP1SLC6A3HPGDNISCHGALR1
SCHEMBL11815728 0.82 PTGS2 (0.59) TDP1PTGS2ELANEGRM2MEN1
SCHEMBL9748783 0.81 PTPN22 (0.44) TDP1PTGS2ELANEGRM2MEN1
SCHEMBL26742872 0.79 TDP1 (0.40) TDP1PTGS2ELANEGRM2SLC6A3
SCHEMBL19284636 0.76 IDO1 (0.46) TDP1PTGS2ELANEGRM2MEN1
SCHEMBL1681365 0.76 SLC6A3 (0.46) TDP1SLC6A3HPGDNISCHGALR1
SCHEMBL28758944 0.75 PTGS2 (0.51) TDP1PTGS2ELANEGRM2PSMB5
SCHEMBL30900891 0.74 ALDH1A1 (0.48) TDP1PTGS2GRM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11302207-A None JP disclosed
JP-11349548-A None JP disclosed
CN-117143140-B Triarylamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2026-05-15 CN disclosed
CN-115385802-B Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-08-06 CN disclosed
CN-115594652-B Amine compound and organic light-emitting device thereof 长春海谱润斯科技股份有限公司 2024-05-24 CN disclosed
CN-115057849-B Triarylamine organic compound and organic light-emitting device thereof 长春海谱润斯科技股份有限公司 2024-05-17 CN disclosed
CN-115073440-B Compound with benzoxazole ring and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-05-14 CN disclosed
CN-117750798-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2024-03-22 CN disclosed
CN-117567500-A Aromatic amine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-02-20 CN disclosed
CN-117534576-A Aromatic amine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2024-02-09 CN disclosed
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP disclosed
US-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 US disclosed
EP-1273562-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
US-6468607-B1 MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-22 US disclosed
CN-1246469-A Naphthacridine derivative and liquid crystal composite containing it DAINIPPON INK CHEMICAL IND CO (JP) 2000-03-08 CN disclosed
JP-H11349548-A NEW LIQUID CRYSTAL COMPOUND COMPRISING 6-CYANONAPHTHALENE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL ELEMENT USING THE SAME DAINIPPON INK & CHEM INC 1999-12-21 JP disclosed
JP-H11302207-A NEW LIQUID-CRYSTALLINE 6-FLUORONAPHTHALENE DERIVATIVE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK & CHEM INC 1999-11-02 JP disclosed
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 EP disclosed
US-5077142-A Electroluminescent devices RICOH COMPANY, LTD. (JP) 1991-12-31 US disclosed
US-4680291-A ANTIMYCOTIC AGENTS SANDOZ LTD. (CH) 1987-07-14 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 (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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 TDP1 2369/4885PTGS2 2708/4885ELANE 72/4885

“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.