SCHEMBL15445359

SCHEMBL15445359

[2H]CC(=O)OCc1ccc(NCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
SCN5A Q14524 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37
DRD4 P21917 1/20 0.37
ACHE P22303 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL19600462 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1L3MBTL1HDAC3
SCHEMBL27421358 0.80 CTSK (0.41) ALDH1A1KMT2AMEN1L3MBTL1HDAC3
SCHEMBL15499765 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL27402975 0.79 HDAC3 (0.50) ALDH1A1KMT2AL3MBTL1HDAC3HDAC1
SCHEMBL17721364 0.78 MEN1 (0.57) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11491096 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HDAC3HDAC1
SCHEMBL11477434 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HDAC3HDAC1
SCHEMBL11479562 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HDAC3HDAC1
SCHEMBL24760258 0.77 ACHE (0.44) ALDH1A1KMT2AMEN1L3MBTL1HDAC3
Bromide SCHEMBL11476767 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170290920-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES MEDIMMUNE LIMITED (GB) 2017-10-12 US disclosed
US-20170002085-A1 METHODS OF USING ANTI-LGR5 ANTIBODIES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-9464141-B2 Anti-ETBR antibodies and immunoconjugates GENENTECH, INC. (US) 2016-10-11 US disclosed
US-9463251-B2 Anti-ETBR antibodies and immunoconjugates GENENTECH, INC. (US) 2016-10-11 US disclosed
US-20160102146-A1 ANTI-LGR5 ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2016-04-14 US disclosed
US-9175089-B2 Anti-LGR5 antibodies and immunoconjugates GENENTECH, INC. (US) 2015-11-03 US disclosed
US-20150196660-A1 ANTI-ETBR ANTIBODIES AND IMMUNOCONJUGATES GENENTECH INC (US) 2015-07-16 US disclosed
US-20150183883-A1 ANTI-ETBR ANTIBODIES AND IMMUNOCONJUGATES GENENTECH INC (US) 2015-07-02 US disclosed
US-20150098900-A1 ANTI-FCRH5 ANTIBODIES GENENTECH, INC 2015-04-09 US disclosed
US-20140030282-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2014-01-30 US disclosed
US-20140030281-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2014-01-30 US disclosed
US-20140030280-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2014-01-30 US disclosed
US-20140030279-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES SPIROGEN SARL (CH) 2014-01-30 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 (10 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-20140030281-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES CD22, CD2, CD2BP2 ALDH1A1 260/4885KMT2A 2029/4885MEN1 3769/4885
US-20170002085-A1 METHODS OF USING ANTI-LGR5 ANTIBODIES SHH, SMO, GLI1 ALDH1A1 1127/4885KMT2A 2721/4885MEN1 1225/4885
US-20160102146-A1 ANTI-LGR5 ANTIBODIES AND IMMUNOCONJUGATES EPCAM, CD44, CD63 ALDH1A1 621/4885KMT2A 2176/4885MEN1 977/4885
US-20150098900-A1 ANTI-FCRH5 ANTIBODIES FCGR3B, FCGRT, FCGR1A ALDH1A1 2977/4885KMT2A 2793/4885MEN1 4003/4885
US-20150196660-A1 ANTI-ETBR ANTIBODIES AND IMMUNOCONJUGATES ETV6, CTCF, EWSR1 ALDH1A1 2535/4885KMT2A 323/4885MEN1 4113/4885
US-20170290920-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES CD22, CD2, CD2BP2 ALDH1A1 260/4885KMT2A 2029/4885MEN1 3769/4885
US-20140030280-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES CD79B, CD99, CD47 ALDH1A1 2396/4885KMT2A 1293/4885MEN1 3512/4885
US-20140030282-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES CD79B, CD99, CD47 ALDH1A1 2396/4885KMT2A 1293/4885MEN1 3512/4885
US-20150183883-A1 ANTI-ETBR ANTIBODIES AND IMMUNOCONJUGATES CTCF, EDNRB, ETV6 ALDH1A1 1922/4885KMT2A 265/4885MEN1 4135/4885
US-20140030279-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES CD22, CD2, CD2BP2 ALDH1A1 260/4885KMT2A 2029/4885MEN1 3769/4885

“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.