SCHEMBL1814868

SCHEMBL1814868

CC(C)(C)C1=CC(=Nc2ccccc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
ATM Q13315 5/20 0.37
MPI P34949 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CES2 O00748 1/20 0.37
PKM P14618 1/20 0.37
CES1 P23141 1/20 0.37
MCL1 Q07820 1/20 0.35
KMT2A Q03164 3/20 0.33
THRB P10828 2/20 0.33
TTR P02766 1/20 0.33
NPC1 O15118 3/20 0.33
GPR35 Q9HC97 1/20 0.33
LMNA P02545 4/20 0.32
L3MBTL1 Q9Y468 2/20 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
SCHEMBL16675402 0.90 SMN1; SMN2 (0.57) SMN1; SMN2POLBGPR55ALDH1A1MAPT
SCHEMBL2814567 0.82 SMN1; SMN2 (0.50) SMN1; SMN2POLBGPR55ALDH1A1MAPT
SCHEMBL8971776 0.82 SMN1; SMN2 (0.47) SMN1; SMN2POLBALDH1A1KMT2ANPC1
SCHEMBL8971390 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBGPR55ALDH1A1MAPT
SCHEMBL8971653 0.80 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1MAPTKMT2A
SCHEMBL9490926 0.80 SMN1; SMN2 (0.48) SMN1; SMN2POLBALDH1A1MAPTMPI
SCHEMBL10364440 0.79 MAPT (0.55) SMN1; SMN2ALDH1A1MAPTPKMKMT2A
SCHEMBL14253718 0.79 SMN1; SMN2 (0.42) SMN1; SMN2POLBGPR55ATMKMT2A
SCHEMBL8971203 0.76 RXRA (0.45) SMN1; SMN2ALDH1A1NPSR1LMNAL3MBTL1
SCHEMBL8971980 0.76 SMN1; SMN2 (0.42) SMN1; SMN2POLBALDH1A1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC. 2005-05-26 US claimed
US-7943809-B2 Composition and method for inhibiting polymerization and polymer growth CHEMTURA CORPORATION (US) 2011-05-17 US disclosed
EP-1235885-B1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH UNIROYAL CHEM CO INC (US) 2007-08-15 EP disclosed
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC., A CORPORATION OF THE STATE OF DELAWARE 2005-05-26 US disclosed
US-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC. 2005-05-26 US disclosed
US-5258281-A Light sensitive silver halide multilayer elements with dyes and heat development accelerators CANON KABUSHIKI KAISHA (JP) 1993-11-02 US disclosed
EP-0486246-A1 Heat-developable photosensitive material CANON KABUSHIKI KAISHA (JP) 1992-05-20 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 (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-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 SMN1; SMN2 417/4885POLB 108/4885GPR55 3709/4885
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 SMN1; SMN2 417/4885POLB 108/4885GPR55 3709/4885

“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.