Sugi Predict

Sugi Predict / Compounds / SCHEMBL1039993

SCHEMBL1039993

SCHEMBL1039993

CN(C)c1cccc([C]=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 2/20 0.48
▸ ALOX15 P16050 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ NOTUM Q6P988 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL9100357 0.80 IGLV6-57 (0.36) ALDH1A1TSHRKMT2ACA12CA2
SCHEMBL7297425 0.79 BRD4 (0.40) ALDH1A1ALOX15KMT2AHSD17B10NPC1
SCHEMBL151270 0.78 ALDH1A1 (0.48) ALDH1A1TSHRKMT2AHSD17B10NPC1
SCHEMBL171338 0.78 ALDH1A1 (0.48) ALDH1A1TSHRALOX15GAANOTUM
SCHEMBL2703739 0.78 ALDH1A1 (0.53) ALDH1A1TSHRALOX15GAAKMT2A
SCHEMBL13232575 0.77 ALDH1A1 (0.47) ALDH1A1TSHRALOX15GAANOTUM
SCHEMBL7284911 0.77 TSHR (0.37) ALDH1A1TSHRALOX15KMT2AHSD17B10
SCHEMBL4391221 0.75 ALDH1A1 (0.67) ALDH1A1TSHRALOX15NOTUMKMT2A
SCHEMBL28886 0.75 APP (0.35) ALDH1A1TSHRKMT2ACA12CA1
SCHEMBL3490748 0.75 TERT (0.45) ALDH1A1TSHRALOX15KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056897-B1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES B V (NL) 2009-12-30 — — EP claimed
US-20090258053-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEEVICES BV (NL) 2009-10-15 — — US claimed
EP-2056897-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL Blue Medical Devices B.V. (NL) 2009-05-13 — — EP claimed
US-20080050413-A1 Medical stent provided with a combination of melatonin and paclitaxel BLUE MEDICAL DEVICES BV (NL) 2008-02-28 — — US claimed
WO-2008023038-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES BV (NL) 2008-02-28 — — WO claimed
EP-1369424-B1 Method for purifying protected 2'-deoxycytidines MITSUI CHEMICALS INC (JP) 2007-08-15 — — EP claimed
CN-1261098-C Inhibitors of p 38-alpha kinase SCIOS INC (US) 2006-06-28 — — CN claimed
CN-1170827-C Benzofurylpyrone derivatives ������������ʽ���� 2004-10-13 — — CN claimed
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 — — EP claimed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 — — US claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 — — EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 — — EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 — — WO claimed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 — — US claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES — 1998-05-22 — — WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 — — WO claimed
EP-0439321-B1 Thiazolidine derivatives having anti-hypertensive activity and their therapeutic use SANKYO CO (JP) 1995-03-15 — — EP claimed
EP-0439321-A2 Thiazolidine derivatives having anti-hypertensive activity and their therapeutic use Sankyo Company Limited (JP) 1991-07-31 — — EP 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 (2 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-20090258053-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL MTNR1B, MTNR1A, MYLK ALDH1A1 4102/4885TSHR 2907/4885ALOX15 572/4885
US-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 ALDH1A1 1272/4885TSHR 1838/4885ALOX15 418/4885

“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.