SCHEMBL2834217

SCHEMBL2834217

O=C(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.83
CES1 P23141 6/20 0.83
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
SRD5A2 P31213 1/20 0.59
CYP1A1 P04798 1/20 0.56
MAOB P27338 1/20 0.56
CYP1B1 Q16678 1/20 0.56
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
P2RX1 P51575 1/20 0.53
HSD11B1 P28845 1/20 0.53
KIF11 P52732 1/20 0.52
GSK3B P49841 2/20 0.52
PTPN1 P18031 1/20 0.52
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52

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
SCHEMBL3172262 0.91 CES2 (1.00) CES2CES1SRD5A2TSHRGSK3B
SCHEMBL1781341 0.87 SRD5A2 (0.77) CES2CES1NPC1RAB9ASRD5A2
SCHEMBL3058646 0.84 CES2 (0.78) CES2CES1NPC1RAB9ASRD5A2
SCHEMBL16340031 0.83 CES2 (0.60) CES2CES1NPC1RAB9AP2RX1
SCHEMBL20010796 0.83 CES2 (0.83) CES2CES1SRD5A2CYP1A1CYP1B1
SCHEMBL160203 0.82 ALDH1A1 (0.59) CES2CES1NPC1RAB9ASRD5A2
SCHEMBL4848676 0.82 CES2 (0.89) CES2CES1RAB9ASRD5A2MAOB
SCHEMBL779220 0.82 NPC1 (0.56) CES2CES1NPC1RAB9ASRD5A2
SCHEMBL22130998 0.82 PTPN1 (0.71) CES2CES1NPC1RAB9ASRD5A2
SCHEMBL13019489 0.82 SRD5A2 (0.69) CES2CES1NPC1RAB9ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
CN-102906215-B Photochromic material MITSUBISHI GAS CHEMICAL CO 2014-11-05 CN disclosed
CN-102906215-A Photochromic material MITSUBISHI GAS CHEMICAL CO 2013-01-30 CN disclosed
CN-102877022-A Evaporation mask, method of manufacturing evaporation mask, electronic device, and method of manufacturing electronic device SONY CORP 2013-01-16 CN disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
EP-2066633-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-10 EP disclosed
EP-2064183-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-03 EP disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP disclosed
WO-2006044527-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2006-04-27 WO disclosed
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-04-20 US disclosed
EP-0920314-B1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-08-27 EP disclosed
EP-0920314-A4 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2001-08-16 EP disclosed
US-5981551-A GRANULOCYTE COLONY-STIMULATING FACTOR MIMETICS; TREATMENT OF NEUTROPENIA SMITHKLINE BEECHAM CORPORATION (US) 1999-11-09 US disclosed
EP-0920314-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1999-06-09 EP disclosed
WO-1997044033-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-27 WO disclosed
US-4009022-A Selective antagonists for triazine herbicides ROHM AND HAAS COMPANY (US) 1977-02-22 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 (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-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 CES2 653/4885CES1 2895/4885NPC1 2328/4885
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CES2 4307/4885CES1 3870/4885NPC1 3093/4885
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA CES2 1662/4885CES1 474/4885NPC1 1463/4885

“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.