SCHEMBL1003357

SCHEMBL1003357

Fc1cccc(C[Mg]Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.55
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MIF P14174 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A3 Q01959 2/20 0.42
MAOB P27338 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.40
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL1007221 0.98 TAAR1 (0.53) TAAR1IDO1AGXTMIFALDH1A1
Water SCHEMBL8871710 0.98 TAAR1 (0.53) TAAR1IDO1AGXTMIFALDH1A1
SCHEMBL1538033 0.78 TAAR1 (0.50) TAAR1IDO1AGXTMIFALDH1A1
SCHEMBL14484673 0.77 IDO1 (0.41) TAAR1IDO1
SCHEMBL1004527 0.76 TAAR1 (0.57) TAAR1IDO1AGXTMAOB
SCHEMBL29766236 0.75
SCHEMBL70652 0.75
SCHEMBL559361 0.74 TAAR1 (0.55) TAAR1IDO1MAOBMEN1KMT2A
SCHEMBL31736930 0.74 TAAR1 (0.55) TAAR1IDO1AGXTSMN1; SMN2MAOB
SCHEMBL3300303 0.74 TAAR1 (0.60) TAAR1IDO1AGXTMIFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
US-12268687-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-08 US disclosed
US-20250034124-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-01-30 US disclosed
US-12098146-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-09-24 US disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-20230116101-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-04-13 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
EP-3914593-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-12-01 EP disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-20010047105-A1 EP4 receptor selective agonists in the treatment of osteoporosis PFIZER PRODUCTS INC. 2001-11-29 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
EP-1110949-A1 EP4 receptor selective agonists in the treatment of osteoporosis Pfizer Products Inc. (US) 2001-06-27 EP disclosed
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 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 (9 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 TAAR1 319/4885IDO1 1289/4885AGXT 3804/4885
US-20250034124-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 TAAR1 3815/4885IDO1 2690/4885AGXT 1560/4885
US-12268687-B2 Compounds and uses thereof NLN, BDNF, NQO1 TAAR1 3815/4885IDO1 2690/4885AGXT 1560/4885
US-20230116101-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 TAAR1 3815/4885IDO1 2690/4885AGXT 1560/4885
US-12098146-B2 Compounds and uses thereof NLN, BDNF, NQO1 TAAR1 3815/4885IDO1 2690/4885AGXT 1560/4885
US-20010047105-A1 EP4 receptor selective agonists in the treatment of osteoporosis PTGER4, PTGER1, PTGER2 TAAR1 1909/4885IDO1 417/4885AGXT 4349/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 TAAR1 1930/4885IDO1 169/4885AGXT 1977/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TAAR1 4204/4885IDO1 1976/4885AGXT 1079/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG TAAR1 3193/4885IDO1 4697/4885AGXT 598/4885

“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.