Sugi Predict

Sugi Predict / Compounds / SCHEMBL2007010

SCHEMBL2007010

SCHEMBL2007010

CCC(O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PTGS2 P35354 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL9829246 0.88 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7927826 0.86 CYP3A4 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7927950 0.84 NFKB1 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7927945 0.84 NFKB1 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7815796 0.84 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8420994 0.84 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15241060 0.83 CYP3A4 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL7930046 0.82 BLM (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18943819 0.82 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2388775 0.82 CYP3A4 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526854-B Alpha, beta-unsaturated ketone derivative, preparation method and application thereof as medicine 宁夏医科大学 2023-12-15 — — CN disclosed
WO-2021017795-A1 α,β-UNSATURATED KETONE DERIVATIVE, PREPARATION METHOD AND USE AS MEDICINE 宁夏医科大学 2021-02-04 — — WO disclosed
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 — — US disclosed
US-20110218343-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2011-09-08 — — US disclosed
US-7960570-B2 Small molecule inhibitors of rotamase enzyme activity GLIAMED, INC. (US) 2011-06-14 — — US disclosed
US-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2010-06-10 — — US disclosed
EP-1433781-B1 Pyrrolidine carboxylic acid derivatives MGI GP INC (US) 2010-02-24 — — EP disclosed
US-7652060-B2 Neurotrophic N-glyoxyl-prolyl ester compounds e.g. 3-phenyl-1-propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate; non-immunosuppressive; side effect reduction; neurodegenerative diseases Glia Med, Inc (US) 2010-01-26 — — US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 — — US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 — — US disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 — — WO disclosed
US-5859031-A Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1999-01-12 — — US disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 — — WO disclosed
WO-1998055091-A1 PYRROLIDINE DERIVATIVE HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 — — WO disclosed
US-5795908-A FKBP IMMUNOPHILINS FOR ENZYME INHIBITORS GPI NIL HOLDINGS, INC. (US) 1998-08-18 — — US disclosed
EP-0769006-A4 — GUILFORD PHARM INC (US) 1997-05-28 — — EP disclosed
EP-0769006-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1997-04-23 — — EP disclosed
US-5614547-A Small molecule inhibitors of rotamase enzyme GUILFORD PHARMACEUTICALS INC. (US) 1997-03-25 — — US disclosed
WO-1996040633-A9 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY — 1997-02-27 — — WO disclosed
WO-1996040633-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1996-12-19 — — WO 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-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY FKBP8, FKBP1A, FKBP2 TUBB4A 1646/4885TUBB 1057/4885TUBA3C 1956/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R TUBB4A 434/4885TUBB 404/4885TUBA3C 376/4885
US-20110218343-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY FKBP8, FKBP1A, FKBP2 TUBB4A 1646/4885TUBB 1057/4885TUBA3C 1956/4885

“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.