SCHEMBL18478564

SCHEMBL18478564

CCOC(C)(C)CCNC(=O)c1ccc(C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ MLYCD O95822 1/20 0.45
▸ NPC1 O15118 7/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC22A2 O15244 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39

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
SCHEMBL25893618 0.81 TRPV1 (0.45) MLYCDNPC1RAB9AALDH1A1HPGD
SCHEMBL10050998 0.78 KDM4E (0.57) EPHX2NR1H4NPC1RAB9AALDH1A1
SCHEMBL2650710 0.76 MAPT (0.54) EPHX2NR1H4NPC1RAB9AALDH1A1
SCHEMBL19001502 0.76 EPHX2 (0.39) EPHX2NR1H4MLYCDALDH1A1HDAC6
SCHEMBL16263575 0.76 NPC1 (0.65) EPHX2NR1H4NPC1RAB9AALDH1A1
SCHEMBL14232236 0.75 EPHX2 (0.39) EPHX2NR1H4MLYCDNPC1RAB9A
SCHEMBL19407447 0.75 MLYCD (0.45) MLYCDNPC1RAB9AALDH1A1HPGD
SCHEMBL20033911 0.75 MLYCD (0.45) MLYCDNPC1RAB9AALDH1A1HPGD
SCHEMBL17208760 0.75 L3MBTL1 (0.59) EPHX2NR1H4MLYCDNPC1RAB9A
SCHEMBL2280467 0.75 HPGD (0.62) EPHX2NR1H4NPC1RAB9AALDH1A1

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-9902724-B2 Heterobifunctional linkers with polyethylene glycol segments and immune response modifier conjugates made therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-02-27 — — US disclosed
US-20170037045-A1 HETEROBIFUNCTIONAL LINKERS WITH POLYETHYLENE GLYCOL SEGMENTS AND IMMUNE RESPONSE MODIFIER CONJUGATES MADE THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2017-02-09 — — 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-20170037045-A1 HETEROBIFUNCTIONAL LINKERS WITH POLYETHYLENE GLYCOL SEGMENTS AND IMMUNE RESPONSE MODIFIER CONJUGATES MADE THEREFROM IL2, ICOS, CD40 EPHX2 66/4885NR1H4 1568/4885MLYCD 3454/4885

“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.

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