Sugi Predict

Sugi Predict / Compounds / SCHEMBL387559

SCHEMBL387559

SCHEMBL387559

CC(C)Oc1cc(Br)cc(OC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ RORB Q92753 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.37
▸ GABRA1 P14867 2/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PARP10 Q53GL7 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL12127949 0.95 ALDH1A1 (0.38) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12178544 0.91 ALDH1A1 (0.48) ALDH1A1RORCRORBKMT2ALMNA
SCHEMBL15095752 0.86 FFAR4 (0.37) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8370932 0.86 ALDH1A1 (0.44) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30464877 0.84 GRIN2D (0.36) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17204044 0.84 GABRA1 (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31550162 0.84 NPC1 (0.35) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6253683 0.84 GRIN2D (0.36) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18282325 0.84 RORC (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17204042 0.84 BRD4 (0.37) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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-115385957-A Linear terphenyl aryl phosphine ligand and transition metal complex thereof 东莞市均成高新材料有限公司 2022-11-25 — — CN disclosed
US-10683453-B2 Organic compounds with soluble groups MERCK PATENT GMBH (DE) 2020-06-16 — — US disclosed
EP-3230403-B1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS MERCK PATENT GMBH (DE) 2019-10-09 — — EP disclosed
US-10272081-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2019-04-30 — — US disclosed
US-20180360828-A9 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2018-12-20 — — US disclosed
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2018-06-14 — — US disclosed
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2018-06-14 — — US disclosed
US-9937167-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-04-10 — — US disclosed
US-9937167-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-04-10 — — US disclosed
US-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS UDC IRELAND LIMITED (IE) 2017-12-28 — — US disclosed
WO-2014110036-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-07-17 — — WO disclosed
EP-2507221-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals Inc. (CA) 2012-10-10 — — EP disclosed
US-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 — — US disclosed
US-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 — — US disclosed
US-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 — — US disclosed
WO-2011069118-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 — — WO disclosed
WO-2011069118-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 — — WO disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 — — US disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 — — US disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 — — 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 (6 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-10272081-B2 SHIP1 modulators and methods related thereto PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885GRIN2D 4744/4885GRIN3B 3496/4885
US-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS SLCO4C1, SLCO1B3, SLCO2B1 ALDH1A1 332/4885GRIN2D 2682/4885GRIN3B 2711/4885
US-10683453-B2 Organic compounds with soluble groups SLCO4C1, SLCO1B3, SLCO2B1 ALDH1A1 332/4885GRIN2D 2682/4885GRIN3B 2711/4885
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PTPRO, PPM1G ALDH1A1 1441/4885GRIN2D 4666/4885GRIN3B 2950/4885
US-20180360828-A9 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885GRIN2D 4744/4885GRIN3B 3496/4885
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885GRIN2D 4744/4885GRIN3B 3496/4885

“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.