SCHEMBL6503944

SCHEMBL6503944

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KCNN4 O15554 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL10401090 0.84 KIF11 (0.43) KIF11MAPK1TSHRALDH1A1KCNN4
SCHEMBL3407529 0.84 TSHR (0.43) KIF11MAPK1TSHRALDH1A1KCNN4
SCHEMBL3645414 0.79 TSHR (0.39) KIF11MAPK1TSHRALDH1A1KCNN4
SCHEMBL11419604 0.79 MAPK1 (0.50) MAPK1TSHRALDH1A1KCNN4ALOX15
SCHEMBL3095108 0.79 TSHR (0.39) MAPK1TSHRALDH1A1KCNN4
SCHEMBL3841441 0.75 TSHR (0.31) TSHRALDH1A1
SCHEMBL3849553 0.75 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL28452330 0.74 PPARA (0.46) KIF11TSHR
SCHEMBL19949706 0.74 TSHR (0.42) KIF11MAPK1TSHR
SCHEMBL8697056 0.74 KIF11 (0.36) KIF11MAPK1TSHRALDH1A1KCNN4

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
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-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-4618610-A Triazine derivatives, and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 US disclosed
EP-0123254-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 EP 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
EP-0011370-B1 PROCESS FOR PREPARING 2-CHLOROSULFINYL-AZETIDINONES ELI LILLY AND COMPANY (US) 1982-04-28 EP 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
EP-0011370-A1 Process for preparing 2-chlorosulfinyl-azetidinones ELI LILLY AND COMPANY (US) 1980-05-28 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-4159272-A Process for 2-chlorosulfinylazetidin-4-ones 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 (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 KIF11 4431/4885MAPK1 4269/4885TSHR 4070/4885

“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.