Sugi Predict

Sugi Predict / Compounds / SCHEMBL10159871

SCHEMBL10159871

SCHEMBL10159871

CN(CC(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ESR1 P03372 1/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11556871 0.82 MEN1 (0.41) CA12CA2CA9ESR1MEN1
SCHEMBL6699279 0.82 TAAR1 (0.45) CA12CA2CA9MEN1KMT2A
SCHEMBL6258041 0.79 CA12 (0.42) CA12CA2CA9MEN1KMT2A
SCHEMBL28015704 0.79 NR1H2 (0.39) CA12CA2CA9ESR1MEN1
SCHEMBL4892428 0.79 CA12 (0.43) CA12CA2CA9ESR1MEN1
SCHEMBL8767323 0.78 TSHR (0.50) ESR1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL13259855 0.78 ESR1 (0.43) ESR1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL23504661 0.77 NUDT1 (0.33) ALDH1A1TSHR
SCHEMBL22465856 0.77 ALDH1A1 (0.50) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL14193393 0.77 SMN1; SMN2 (0.41) CA12CA2CA9MEN1KMT2A

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
CN-114621504-A Low-Voc spare tire tread rubber composition and preparation method thereof 青岛双星轮胎工业有限公司 2022-06-14 — — CN disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 — — US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 — — US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 — — US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 — — US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 — — 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 CA12 4607/4885CA2 2242/4885CA9 4299/4885
US-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A CA12 1367/4885CA2 651/4885CA9 2874/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 CA12 3503/4885CA2 3908/4885CA9 2630/4885

“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.