SCHEMBL1044979

SCHEMBL1044979

[CH2]/C=C/c1cc(OC)ccc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.68
CYP1B1 Q16678 7/20 0.68
CYP1A2 P05177 6/20 0.68
NFE2L2 Q16236 3/20 0.68
JUN P05412 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP19A1 P11511 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.57
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TLR9 Q9NR96 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL1044981 1.00 CYP1A1 (0.68) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL1046769 0.85 CYP1A2 (0.78) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL1046770 0.85 CYP1A2 (0.78) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL11874684 0.84 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL11874692 0.84 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL7871043 0.82 CYP1A1 (0.70) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL265496 0.82 CYP1A1 (0.70) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL30474601 0.82 CYP1A1 (0.70) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL14224730 0.82 CYP1A1 (0.70) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL1824235 0.81 CYP1A1 (0.68) CYP1A1CYP1B1CYP1A2NFE2L2JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101362724-A Tetramethylpyrazine acidamides derivates, preparation method and medicament composition and application UNIV SHANDONG (CN) 2009-02-11 CN claimed
EP-1227859-B1 NEUROPHILIN LIGANDS FOR TREATING OCULAR CONDITIONS ALCON INC (CH) 2006-08-09 EP claimed
US-6943187-B2 Pyrrolidine derivative hair growth compositions and uses GPI NIL HOLDINGS, INC. (US) 2005-09-13 US claimed
US-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds AMGEN INC. 2004-09-23 US claimed
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP claimed
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 2004-03-11 US claimed
US-20030203890-A1 Method for treating nerve injury caused as a result of surgery NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-10-30 US claimed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO claimed
JP-2002510302-A 2002-04-02 JP claimed
US-20010049381-A1 Pyrrolidine derivative hair growth compositions and uses GPL NIL HOLDINGS, INC., 2001-12-06 US claimed
US-6177455-B1 ADMINISTERING A NITROGEN-CONTAINING HETEROCYCLIC COMPOUND GPI NIL HOLDINGS, INC. 2001-01-23 US claimed
EP-0769006-B1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2000-11-08 EP claimed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP claimed
EP-0998263-A1 PYRROLIDINE DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 2000-05-10 EP claimed
EP-0992492-A1 Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARMACEUTICALS INC. (US) 2000-04-12 EP claimed
WO-2000009124-A1 PYRROLIDINE DERIVATIVES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO claimed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO claimed
US-5859031-A Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1999-01-12 US claimed
WO-1998055091-A1 PYRROLIDINE DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO claimed
WO-1996040633-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1996-12-19 WO claimed

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-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds GAP43, CHAT, MYOC CYP1A1 4605/4885CYP1B1 4372/4885CYP1A2 4589/4885
US-20030203890-A1 Method for treating nerve injury caused as a result of surgery NGF, BDNF, GAP43 CYP1A1 4091/4885CYP1B1 3581/4885CYP1A2 3201/4885
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP14, PREP CYP1A1 3601/4885CYP1B1 2968/4885CYP1A2 3870/4885
US-20010049381-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF CYP1A1 1114/4885CYP1B1 623/4885CYP1A2 501/4885

“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.