SCHEMBL809509

SCHEMBL809509

O=C1CCCCC1Sc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
MCL1 Q07820 1/20 0.46
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
SLC18A3 Q16572 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL2946543 1.00 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29110659 0.82 CRBN (0.55) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15318109 0.80 DDB1 (0.58) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15315662 0.80 DDB1 (0.58) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15315654 0.80 DDB1 (0.58) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9263012 0.78 ALDH1A1 (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9287550 0.77 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15315657 0.77 DDB1 (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15318104 0.77 DDB1 (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6211006 0.76 CRBN (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613463-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1994-09-07 EP claimed
WO-1993010087-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
CN-101687781-B Compound for photoacid generator and use its anti-corrosion agent composition, pattern formation method CENTRAL GLASS CO.,LTD. (JP) 2015-08-12 CN disclosed
EP-2574610-A1 Inhibitors of human immonodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-04-03 EP disclosed
EP-2220095-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2013-01-02 EP disclosed
US-7985492-B2 Electroluminescent materials and devices MERCK PATENT GMBH (DE) 2011-07-26 US disclosed
US-7985492-B2 Electroluminescent materials and devices MERCK PATENT GMBH (DE) 2011-07-26 US disclosed
CN-102117013-A Photoresist composition SUMITOMO CHEMICAL CO 2011-07-06 CN disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
US-5476944-A Inhibitors or stimulators of superoxide generation; may also inhibit cyclooxygenase and/or 5-lipoxygenase; useful in therapeutic or prophylactic treatment of disease conditions G. D. SEARLE & CO. (US) 1995-12-19 US disclosed
EP-0613463-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1994-09-07 EP disclosed
WO-1993010087-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1993-05-27 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885MAPT 4851/4885NPC1 2540/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885MAPT 4830/4885NPC1 2435/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885MAPT 4851/4885NPC1 2540/4885

“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.