SCHEMBL6499230

SCHEMBL6499230

[c]1ccc(OC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.49
F2 P00734 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 1/20 0.42
PRSS1 P07477 1/20 0.41
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
IDO1 P14902 8/20 0.35
TDO2 P48775 8/20 0.35
SLC6A4 P31645 2/20 0.34
IDO2 Q6ZQW0 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL7355498 0.89 SRD5A2 (0.41) SRD5A2F2ADRA2AADRA2BADRA2C
SCHEMBL7465279 0.89 SRD5A2 (0.41) SRD5A2F2ADRA2AADRA2BADRA2C
SCHEMBL7464307 0.85 IDO1 (0.55) SRD5A2IDO1TDO2SLC6A4
SCHEMBL9859672 0.84 SRD5A2 (0.57) SRD5A2F2ADRA2AADRA2BADRA2C
SCHEMBL864142 0.79 FFAR1 (0.49) ADRA2AADRA2BADRA2CSCN3AKCNH2
SCHEMBL11462370 0.79 DPP4 (0.39) F2ADRA2AADRA2CSLC6A4LMNA
SCHEMBL7959775 0.79 TSHR (0.38) SRD5A2ADRA2AADRA2CSLC6A4LMNA
SCHEMBL875512 0.79 TSHR (0.39) SRD5A2F2ADRA2AADRA2BADRA2C
SCHEMBL2086755 0.79 PBRM1 (0.33) SRD5A2F2ADRA2AADRA2BADRA2C
SCHEMBL10497077 0.79 TRPA1 (0.38) SRD5A2F2ADRA2AADRA2BADRA2C

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
CN-114213433-B Process for the preparation of C-3 tetrahydrofuran substituted cephalosporin-siderophore conjugates 重庆医药高等专科学校 2023-03-24 CN disclosed
CN-114213433-A Process for the preparation of C-3 tetrahydrofuran substituted cephalosporin-siderophore conjugates 重庆医药高等专科学校 2022-03-22 CN disclosed
CN-111620893-B C-3 tetrahydrofuran substituted cephalosporin-siderophore coupling compound and preparation method and application thereof 重庆医药高等专科学校 2021-12-14 CN disclosed
CN-111620893-A C-3 tetrahydrofuran substituted cephalosporin-siderophore coupling compound and preparation method and application thereof 重庆医药高等专科学校 2020-09-04 CN disclosed
US-6908996-B2 Compounds and method for preparing 3-methylcephams IMPERIAL COLLEGE OF LONDON (GB) 2005-06-21 US disclosed
US-20040106790-A1 Novel compounds and method for preparing 3-methylcephams COOPER CONSULTING 2004-06-03 US disclosed
US-6683176-B2 FOR USE IN PRODUCING AMINO ACID DERIVATIVE ANTIBIOTICS COOPER CONSULTING 2004-01-27 US disclosed
EP-1183262-A4 INTERMEDIATES FOR AND SYNTHESIS OF 3-METHYLENE CEPHAMS COOPER CONSULTING INC (US) 2003-04-09 EP disclosed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP disclosed
EP-1183262-A1 INTERMEDIATES FOR AND SYNTHESIS OF 3-METHYLENE CEPHAMS Cooper Consulting Inc. (US) 2002-03-06 EP disclosed
US-4375475-A ANTICHOLESTEROL AGENTS MERCK & CO., INC. (US) 1983-03-01 US disclosed
US-4301280-A Preparation of 3-substituted cephalosporins LILLY INDUSTRIES LIMITED (GB) 1981-11-17 US disclosed
EP-0019401-A1 Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin Lilly Industries Limited (GB) 1980-11-26 EP disclosed
US-4176231-A Process for preparing 3-exomethylenecepham sulfoxides LILLY INDUSTRIES LIMITED (GB) 1979-11-27 US disclosed
US-4159266-A AZETIDINONE SULFINIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 US disclosed
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed
US-4038275-A PROCESS FOR PREPARATION OF 3-HYDROXYMETHYLCEPHEMS ELI LILLY AND COMPANY (US) 1977-07-26 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 (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-20040106790-A1 Novel compounds and method for preparing 3-methylcephams DHPS, FDPS, COASY SRD5A2 174/4885F2 2745/4885ADRA2A 4446/4885

“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.