Sugi Predict

Sugi Predict / Compounds / SCHEMBL892587

SCHEMBL892587

SCHEMBL892587

[CH2]CCc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.64
▸ HTR2C P28335 2/20 0.64
▸ HTR2B P41595 2/20 0.64
▸ PTGS2 P35354 1/20 0.59
▸ TUBB4A P04350 3/20 0.58
▸ TUBB P07437 3/20 0.58
▸ TUBA3C P0DPH7 3/20 0.58
▸ TUBA1B P68363 3/20 0.58
▸ TUBA4A P68366 3/20 0.58
▸ TUBB4B P68371 3/20 0.58
▸ TUBB3 Q13509 3/20 0.58
▸ TUBB2A Q13885 3/20 0.58
▸ TUBB8 Q3ZCM7 3/20 0.58
▸ TUBA3E Q6PEY2 3/20 0.58
▸ TUBA1A Q71U36 3/20 0.58
▸ TUBA1C Q9BQE3 3/20 0.58
▸ TUBB6 Q9BUF5 3/20 0.58
▸ TUBB2B Q9BVA1 3/20 0.58
▸ TUBB1 Q9H4B7 3/20 0.58
▸ AOC3 Q16853 2/20 0.56

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
SCHEMBL900845 0.88 HTR2A (0.60) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL4464142 0.86 HTR2A (0.75) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL5871636 0.86 TUBB4A (0.58) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL5871797 0.84 TUBB4A (0.57) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL8772665 0.82 HTR2A (0.46) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL7424861 0.82 HTR2A (0.69) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL900800 0.82 PTGS2 (0.64) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL2500546 0.80 PTGS2 (0.68) HTR2AHTR2CHTR2BPTGS2TUBB4A
Mescaline SCHEMBL25170531 0.78 HTR2A (1.00) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL9025407 0.78 HTR2A (0.64) HTR2AHTR2CHTR2BPTGS2TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP claimed
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors HAMILTON GREGORY S 2008-03-27 — — US claimed
EP-1227859-B1 NEUROPHILIN LIGANDS FOR TREATING OCULAR CONDITIONS ALCON INC (CH) 2006-08-09 — — EP claimed
EP-1666037-A2 Compositions for stimulating neurite growth Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — EP claimed
US-6943187-B2 Pyrrolidine derivative hair growth compositions and uses GPI NIL HOLDINGS, INC. (US) 2005-09-13 — — US claimed
US-6936173-B2 Carbohydrate purification using ultrafiltration, reverse osmosis and nanofiltration NEOSE TECHNOLOGIES, INC. (US) 2005-08-30 — — US claimed
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof NEFZI ADEL (US) 2005-05-26 — — US claimed
US-6818643-B1 3,9-DIAZABICYCLO(3.3.1)NONAN-2-ONE DERIVATIVES; PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORS; NEUROPROTECTIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-11-16 — — US claimed
US-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds AMGEN INC. 2004-09-23 — — US claimed
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 2004-03-11 — — US claimed
WO-1998055091-A1 PYRROLIDINE DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 — — WO claimed
US-5843960-A Inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1998-12-01 — — US claimed
WO-1998030541-A1 C-TERMINAL KETONE HYDROXAMIC ACID INHIBITORS OF MATRIX METALLOPROTEINASES AND TNFA SECRETION ABBOTT LABORATORIES (US) 1998-07-16 — — WO claimed
WO-1998030551-A1 MACROCYCLIC INHIBITORS OF MATRIX METALLOPROTEINASES AND TNFα SECRETION ABBOTT LABORATORIES (US) 1998-07-16 — — WO claimed
WO-1998015581-A1 CARBOHYDRATE PURIFICATION USING ULTRAFILTRATION, REVERSE OSMOSIS AND NANOFILTRATION CYTEL CORPORATION (US) 1998-04-16 — — WO claimed
WO-1998013355-A1 HETEROCYCLIC ESTERS AND AMIDES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 — — WO claimed
EP-0769006-A4 — GUILFORD PHARM INC (US) 1997-05-28 — — EP claimed
EP-0769006-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1997-04-23 — — EP claimed
US-5614547-A Small molecule inhibitors of rotamase enzyme GUILFORD PHARMACEUTICALS INC. (US) 1997-03-25 — — US 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 HTR2A 1642/4885HTR2C 2040/4885HTR2B 1474/4885
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP14, PREP HTR2A 3809/4885HTR2C 3943/4885HTR2B 3607/4885
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof DHPS, DCK, DAZAP1 HTR2A 3223/4885HTR2C 2083/4885HTR2B 3199/4885
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors FKBP8, FKBP1A, FKBP2 HTR2A 3954/4885HTR2C 4128/4885HTR2B 3801/4885

“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.