SCHEMBL18905142

SCHEMBL18905142

CCC(Cc1ccc(C(=O)OCCCCOC(=O)c2ccc(CC(CC)(C(=O)c3ccc(N4CCOCC4)cc3)N(C)C)cc2)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
GSK3B P49841 1/20 0.38
TSHR P16473 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
SCHEMBL20097747 0.96 MEN1 (0.45) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL18905159 0.93 MAPT (0.39) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL18905140 0.92 MEN1 (0.45) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL8899663 0.90 APP (0.41) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL8898680 0.90 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL18910301 0.89 MRGPRX4 (0.46) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL1629303 0.89 MAPT (0.53) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL18910303 0.87 MEN1 (0.41) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL18910239 0.86 L3MBTL1 (0.44) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8897694 0.86 MAPT (0.49) KMT2AMAPTSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 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 (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-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK CCNT1, EIF4A1, MARK1 MEN1 2108/4885KMT2A 761/4885MAPT 1180/4885

“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.