SCHEMBL7514211

SCHEMBL7514211

C=CCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.42
CTSK P43235 3/20 0.41
KIF11 P52732 1/20 0.41
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.36
DUT P33316 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CA1 P00915 2/20 0.33
CASR P41180 1/20 0.32
SLC22A1 O15245 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL8502919 1.00 TK1 (0.42) TK1CTSKKIF11CYP2C19TSHR
SCHEMBL7523027 0.84 KIF11 (0.46) TK1CTSKKIF11CYP2C19TSHR
SCHEMBL2111572 0.84 KIF11 (0.50) TK1CTSKKIF11CYP2C19TSHR
SCHEMBL27859924 0.83 CA1 (0.45) TK1CTSKKIF11TSHRALDH1A1
SCHEMBL8233466 0.81 TK1 (0.39) TK1CTSKKIF11CYP2C19TSHR
SCHEMBL2111430 0.79 KIF11 (0.43) TK1CTSKKIF11CYP2C19TSHR
SCHEMBL993538 0.79 KIF11 (0.43) TK1CTSKKIF11CYP2C19TSHR
SCHEMBL6522822 0.79 TK1 (0.46) TK1CTSKKIF11CYP2C19TSHR
SCHEMBL465454 0.79 TK1 (0.46) TK1CTSKKIF11CYP2C19TSHR
SCHEMBL4917240 0.77 KIF11 (0.53) TK1CTSKKIF11CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042778-A1 Polymorphs of N-Desmethyl Ruboxistaurin and Salts Thereof 4M THERAPEUTICS INC. (US) 2026-02-12 US disclosed
EP-1173397-A1 STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS PPG-Sipsy S.C.A. (FR) 2002-01-23 EP disclosed
WO-2000066519-A1 STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS PPG-SIPSY S.C.A. (FR) 2000-11-09 WO disclosed
EP-0776899-B1 Intermediates and their use to prepare N,N'-bridged bisindolylmaleimides LILLY CO ELI (US) 2000-03-29 EP disclosed
EP-0657411-B1 Synthesis of bisindolylmaleimides LILLY CO ELI (US) 1999-06-09 EP disclosed
US-5721272-A PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1998-02-24 US disclosed
US-5665877-A Synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1997-09-09 US disclosed
EP-0776899-A1 Intermediates and their use to prepare N,N'-bridged bisindolylmaleimides ELI LILLY AND COMPANY (US) 1997-06-04 EP disclosed
WO-1997019080-A1 NOVEL INTERMEDIATES AND THEIR USE TO PREPARE N,N'-BRIDGED BISINDOLYLMALEIMIDES ELI LILLY AND COMPANY (US) 1997-05-29 WO disclosed
US-5614647-A Intermediates for the synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5541347-A Synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1996-07-30 US disclosed
EP-0657411-A1 Improved synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1995-06-14 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-20260042778-A1 Polymorphs of N-Desmethyl Ruboxistaurin and Salts Thereof GSK3B, GSK3A, LRRK2 TK1 3161/4885CTSK 1188/4885KIF11 3811/4885

“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.