SCHEMBL20022932

SCHEMBL20022932

CC(C)CCCC(=O)NCCSC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CNR1 P21554 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.37
NAMPT P43490 2/20 0.36
CNR2 P34972 1/20 0.36
FAAH O00519 3/20 0.35
LPAR1 Q92633 1/20 0.35
MAPT P10636 1/20 0.34
CASP2 P42575 1/20 0.34
POLB P06746 2/20 0.34
PLA2G10 O15496 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL20420476 0.86 LMNA (0.51) LMNAPKMALDH1A1CNR1HPGD
SCHEMBL21478093 0.86 ALDH1A1 (0.43) LMNAPKMALDH1A1CNR1HPGD
SCHEMBL20048862 0.84 ALDH1A1 (0.47) LMNAPKMALDH1A1CNR1HPGD
SCHEMBL13328249 0.81 LMNA (0.60) LMNAPKMALDH1A1CNR1HPGD
SCHEMBL20029059 0.79
SCHEMBL17740055 0.79 ALDH1A1 (0.41) LMNAPKMALDH1A1HPGDTSHR
SCHEMBL20022935 0.78 CNR1 (0.38) LMNAPKMALDH1A1CNR1HPGD
SCHEMBL24826063 0.78 CNR1 (0.52) LMNAPKMALDH1A1CNR1HPGD
SCHEMBL8942527 0.78 CNR1 (0.54) LMNAPKMALDH1A1CNR1HPGD
SCHEMBL22015478 0.77 ALDH1A1 (0.41) LMNAPKMALDH1A1CNR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827744-B2 Bottlebrush copolymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-11-28 US disclosed
US-11827744-B2 Bottlebrush copolymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-11-28 US disclosed
US-20200362095-A1 BOTTLEBRUSH COPOLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-11-19 US disclosed
US-10683387-B2 Bottlebrush copolymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-06-16 US disclosed
US-20180094099-A1 BOTTLEBRUSH COPOLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-04-05 US disclosed
US-20180094099-A1 BOTTLEBRUSH COPOLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-04-05 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 (4 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-20200362095-A1 BOTTLEBRUSH COPOLYMERS AND USES THEREOF TRIB1, TRIB2, ABCB11 LMNA 4117/4885PKM 3677/4885ALDH1A1 1610/4885
US-10683387-B2 Bottlebrush copolymers and uses thereof TRIB1, TRIB2, ABCB11 LMNA 4117/4885PKM 3677/4885ALDH1A1 1610/4885
US-20180094099-A1 BOTTLEBRUSH COPOLYMERS AND USES THEREOF TRIB1, TRIB2, ABCB11 LMNA 4117/4885PKM 3677/4885ALDH1A1 1610/4885
US-11827744-B2 Bottlebrush copolymers and uses thereof TRIB1, TRIB2, ABCB11 LMNA 4117/4885PKM 3677/4885ALDH1A1 1610/4885

“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.