SCHEMBL2123173

SCHEMBL2123173

COc1ccc(C[CH]c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
TRPA1 O75762 1/20 0.57
ALDH1A1 P00352 3/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 2/20 0.50
CA4 P22748 1/20 0.48
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
IDO1 P14902 1/20 0.45
CYP2A6 P11509 1/20 0.45
G6PC1 P35575 1/20 0.45
HTT P42858 1/20 0.45
PPARG P37231 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL5580077 0.92 LTA4H (0.57) LTA4HTRPA1ALDH1A1TP53CYP3A4
SCHEMBL1930129 0.90 ALDH1A1 (0.61) LTA4HTRPA1ALDH1A1TP53CYP3A4
SCHEMBL8710305 0.90 TRPA1 (0.50) LTA4HTRPA1ALDH1A1TP53CYP3A4
SCHEMBL7411959 0.85 TRPA1 (0.53) LTA4HTRPA1ALDH1A1TP53CYP3A4
SCHEMBL651317 0.84 NPC1 (0.59) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL3168388 0.83 RELA (0.60) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL7777160 0.83 RELA (0.60) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL15105021 0.81 TRPA1 (0.63) LTA4HTRPA1ALDH1A1TP53CYP3A4
SCHEMBL5507847 0.81 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL6680147 0.81 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716808-A 18F-labeled triazoles containing PSMA inhibitors 康奈尔大学 2023-02-28 CN claimed
US-8513244-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-08-20 US claimed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US claimed
US-5969131-A OR PRECURSORS; CHEMICAL INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-19 US claimed
EP-0265685-B1 COMBINATION OF ACE INHIBITORS WITH CALCIUM ANTAGONISTS, AND THEIR USE IN MEDICINES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-29 EP claimed
CN-112939980-A 3, 4-dichloroisothiazole heterocyclic purine derivatives and preparation method and application thereof 南开大学 2021-06-11 CN disclosed
WO-2018119117-A1 METHODS OF PRODUCING CYCLIC DINUCLEOTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-28 WO disclosed
CN-107429247-A Methods of making polynucleotides using multivalent cation salt compositions 美国杰龙生物医药公司 2017-12-01 CN disclosed
CN-106459134-A Oligonucleotide composition and method for preparing same 美国杰龙生物医药公司 2017-02-22 CN disclosed
WO-2006102594-A1 NUCLEOSIDE PRODRUGS FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-09-28 WO disclosed
EP-1560577-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING TAXANE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-10 EP disclosed
EP-1558241-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING TAXANE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP disclosed
WO-2004043390-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING TAXANE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
CN-1066456-C Nucleosides and oligonucleotides having 2'-ether groups NOVARTIS AG (CH) 2001-05-30 CN disclosed
CN-1196731-A Di-glycosylated 1, 2-diols as mimetics of sialyl-lewis X and sialyl-lewis A NOVARTIS AG (CH) 1998-10-21 CN disclosed
US-5580865-A ELASTASE INHIBITORS; ANTIINFLAMMATORY AGENTS; DEGENERATIVE DISEASES; EMPHYSEMA, ADULT RESPIRATORY DISTRESS SYNDROME, RHEUMATIC FEVER, SPONDYLITIS, GOUT, LUPUS AND PSORIASIS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-03 US disclosed
CN-1115320-A Nucleosides and oligonucleotides having 2'-ether groups CIBA GEIGY AG (CH) 1996-01-24 CN disclosed
US-5418230-A Antiinflammatory SHIONOGI & CO., LTD. (JP) 1995-05-23 US disclosed
EP-0564835-A2 2,2-Disubstituted cephem sulphones PHARMACIA S.p.A. (IT) 1993-10-13 EP disclosed
EP-0180252-B1 PROCESS OF PREPARING AZETIDINONE COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-04-26 EP 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 (1 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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 LTA4H 91/4885TRPA1 31/4885ALDH1A1 4742/4885

“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.