SCHEMBL3706509

SCHEMBL3706509

O=C(O)CCCCC(=O)NCCOCCOCCOCCNC(=O)CBr

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
FAAH O00519 1/20 0.41
EPHX2 P34913 3/20 0.41
TSHR P16473 2/20 0.40
GLP1R P43220 8/20 0.39
PRMT1 Q99873 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL16568973 0.98 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15697632 0.88 SMN1; SMN2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15669304 0.88 SMN1; SMN2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3710469 0.88 SMN1; SMN2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL932617 0.88 SMN1; SMN2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29603294 0.88 SMN1; SMN2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16644687 0.88 SMN1; SMN2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23567506 0.87 FAAH (0.46) FAAHEPHX2GLP1RPRMT1KDM4E
SCHEMBL23475952 0.85 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15729834 0.85 FAAH (0.60) FAAHGLP1R

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
EP-2640727-B1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES GENENTECH INC (US) 2015-05-13 EP disclosed
EP-2640727-A1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES Genentech, Inc. (US) 2013-09-25 EP disclosed
WO-2012074757-A1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES GENENTECH, INC. (US) 2012-06-07 WO disclosed
US-20120121615-A1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES GENENTECH, INC. 2012-05-17 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 (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-20120121615-A1 ALANINYL MAYTANSINOL ANTIBODY CONJUGATES MTX2, FOLH1, MGAT3 HDAC3 3665/4885HDAC4 3375/4885HDAC1 2332/4885

“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.