SCHEMBL6491544

SCHEMBL6491544

O=C(COc1[c]cccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ NPC1 O15118 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ PTPN1 P18031 2/20 0.43
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL902241 0.84 ALOX15 (0.53) TDP1L3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL9787031 0.80 NPC1 (0.47) TDP1L3MBTL1NPC1MAPTRAB9A
SCHEMBL7472455 0.79 ALDH1A1 (0.32) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL11850746 0.79 KMT2A (0.39) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1803317 0.79 KDM4E (0.46) L3MBTL1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7476929 0.77 HPGD (0.44) TDP1L3MBTL1NPC1MAPTRAB9A
SCHEMBL7048126 0.76 HSD11B1 (0.35) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2565533 0.76 KMT2A (0.40) L3MBTL1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9695964 0.76 PTGDR2 (0.33) TDP1ALDH1A1MAPK1ALOX15CYP1A2
SCHEMBL6314235 0.75 LMNA (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 — — US claimed
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
US-20030036650-A1 Intermediates for and synthesis of 3-methylene cephams IMPERIAL COLLEGE OF LONDON (GB) 2003-02-20 — — US disclosed
EP-1183262-A1 INTERMEDIATES FOR AND SYNTHESIS OF 3-METHYLENE CEPHAMS Cooper Consulting Inc. (US) 2002-03-06 — — EP disclosed
WO-2001060828-A1 INTERMEDIATES FOR AND SYNTHESIS OF 3-METHYLENE CEPHAMS COOPER CONSULTING INC. (US) 2001-08-23 — — WO disclosed
US-5380875-A Purification of N-(9-fluorenylmethoxycarbonyl)-4-hydroxyproline HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-01-10 — — US disclosed
US-4988662-A MULTILAYER ELEMENT OF A COATED SUBSTRATE, A FILM WITH A COLOR-FORMING LACTONE, AN ACID AND A SENSITIZER DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-01-29 — — US disclosed
EP-0019401-B1 PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN Lilly Industries Limited (GB) 1984-03-21 — — EP 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-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 — — US disclosed
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems 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 (2 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-20030036650-A1 Intermediates for and synthesis of 3-methylene cephams LSS, DHPS, COASY TDP1 4456/4885L3MBTL1 2255/4885NPC1 2026/4885
US-20040106790-A1 Novel compounds and method for preparing 3-methylcephams DHPS, FDPS, COASY TDP1 4727/4885L3MBTL1 4697/4885NPC1 2054/4885

“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.

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