SCHEMBL17037482

SCHEMBL17037482

CCCC(C(C)=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
NFKB1 P19838 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL12880105 1.00 TDP1 (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3127227 0.85 CA2 (0.41) CA1CA2FDPSFAAH
SCHEMBL8258858 0.83 CA1 (0.48) CA1CA2FDPSFAAH
SCHEMBL12641501 0.82 CHRM1 (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL18024824 0.81 FAAH (0.47) CA1CA2FDPSFAAH
SCHEMBL4575363 0.81 CHRM1 (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3651519 0.79 CHRM1 (0.52) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL20490010 0.79 CHRM1 (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28854124 0.79 ALDH1A1 (0.33) TDP1ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL13251398 0.79 CA1 (0.39) TDP1CA1CA2ALDH1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10685844-B2 Hardmask composition, method of forming pattern by using the hardmask composition, and hardmask formed using the hardmask composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-06-16 US claimed
US-20190035635-A1 HARDMASK COMPOSITION, METHOD OF FORMING PATTERN BY USING THE HARDMASK COMPOSITION, AND HARDMASK FORMED USING THE HARDMASK COMPOSITION SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-01-31 US claimed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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 (3 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-20190035635-A1 HARDMASK COMPOSITION, METHOD OF FORMING PATTERN BY USING THE HARDMASK COMPOSITION, AND HARDMASK FORMED USING THE HARDMASK COMPOSITION DEK, HNRNPK, DGKA TDP1 3397/4885CHRM1 2216/4885AKR1A1 3809/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 TDP1 678/4885CHRM1 1688/4885AKR1A1 2541/4885
US-10685844-B2 Hardmask composition, method of forming pattern by using the hardmask composition, and hardmask formed using the hardmask composition DEK, HNRNPK, DGKA TDP1 3397/4885CHRM1 2216/4885AKR1A1 3809/4885

“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.