SCHEMBL302512

SCHEMBL302512

O=Cc1ccc(OCCCCCCCCCCBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
CYP2A6 P11509 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PRMT1 Q99873 3/20 0.42
F2 P00734 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
MAOA P21397 2/20 0.42
PLAU P00749 1/20 0.42
PRMT5 O14744 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
TMPRSS2 O15393 1/20 0.42
PTP4A3 O75365 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
SCHEMBL2184223 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL20211763 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL302663 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL27828947 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL2182381 0.98 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL586117 0.92 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8549614 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8373505 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8373486 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL3113016 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110591689-A Preparation method of self-healing phosphorescent organogel material 长春理工大学 2019-12-20 CN disclosed
US-8092712-B2 Bent-core LC decorated gold nanoclusters Ridout & Maybee LLP (CA) 2012-01-10 US disclosed
US-8039832-B2 Liquid crystalline organic semiconductor material, and semiconductor element or information recording medium using the same YAMANASHI UNIVERSITY (JP) 2011-10-18 US disclosed
US-20110062385-A1 BENT-CORE LC DECORATED GOLD NANOCLUSTERS UNIVERSITY OF MANITOBA (CA) 2011-03-17 US disclosed
US-20090250676-A1 LIQUID CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL, AND SEMICONDUCTOR ELEMENT OR INFORMATION RECORDING MEDIUM USING THE SAME YAMANASHI UNIVERSITY (JP) 2009-10-08 US disclosed
WO-2009052632-A1 BENT-CORE LC DECORATED GOLD NANOCLUSTERS UNIVERSITY OF MANITOBA (CA) 2009-04-30 WO disclosed
CN-101223650-A Liquid crystalline organic semiconductor material, and semiconductor element or information recording medium using the same UNIV YAMANASHI (JP) 2008-07-16 CN 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-20110062385-A1 BENT-CORE LC DECORATED GOLD NANOCLUSTERS SLC6A13, SLC6A6, LGALS3 ALDH1A1 2441/4885SMN1; SMN2 4706/4885MAPT 107/4885

“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.