SCHEMBL1027189

SCHEMBL1027189

COc1cccc(-c2cccc(O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
ABL1 P00519 2/20 0.59
ABCB1 P08183 2/20 0.59
BCR P11274 2/20 0.59
HSD17B1 P14061 5/20 0.58
HSD17B2 P37059 5/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2B6 P20813 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A1 P04798 1/20 0.57
CYP2E1 P05181 1/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP4B1 P13584 1/20 0.57
CYP3A5 P20815 1/20 0.57
CYP2A7 P20853 1/20 0.57

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
SCHEMBL21296972 0.90 ABL1 (0.73) HDAC4HDAC8ABL1ABCB1BCR
SCHEMBL6068053 0.90 ABL1 (0.62) HDAC4HDAC8ABL1ABCB1BCR
SCHEMBL12110244 0.88 CYP11B1 (0.59) HDAC4HDAC8ABL1ABCB1BCR
1-Hydroxy-3-Methoxybenzene SCHEMBL29421717 0.87
1-Hydroxy-3-Methoxybenzene SCHEMBL28256 0.87
SCHEMBL196765 0.87 CYP3A4 (0.73) HDAC4HDAC8ABL1ABCB1BCR
SCHEMBL29489425 0.87 CYP3A4 (0.73) HDAC4HDAC8ABL1ABCB1BCR
SCHEMBL24177866 0.86 ABL1 (0.79) HDAC4HDAC8ABL1ABCB1BCR
1-Hydroxy-3-Methoxybenzene SCHEMBL28640151 0.86 ABL1 (0.62) HDAC4HDAC8ABL1ABCB1BCR
SCHEMBL1513611 0.86 ABL1 (0.79) HDAC4HDAC8ABL1ABCB1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3503879-A1 COMPOSITIONS AND METHODS THEREOF Exciva UG (Haftungsbeschränkt) (DE) 2019-07-03 EP disclosed
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF EXCIVA (UG) (haftungsbeschränkt) (DE) 2019-06-20 US disclosed
WO-2018039642-A1 COMPOSITIONS AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-03-01 WO disclosed
EP-1957493-B1 8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS ORGANON NV (NL) 2011-01-19 EP disclosed
US-7605170-B2 8-azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2009-10-20 US disclosed
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives N.V. ORGANON (NL) 2007-08-09 US disclosed
US-7064144-B2 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2006-06-20 US disclosed
US-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-11-25 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 (3 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-20040236114-A1 Imidazole derivatives as adenosine deaminase inhibitors ADA, ADAR, IMPDH1 HDAC4 1662/4885HDAC8 607/4885ABL1 581/4885
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 HDAC4 2266/4885HDAC8 2485/4885ABL1 2754/4885
US-20070185156-A1 8-Azabicyclo[3.2.1]octane derivatives SLC22A8, SLCO1B3, SLCO1B1 HDAC4 775/4885HDAC8 17/4885ABL1 2332/4885

“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.