SCHEMBL595283

SCHEMBL595283

O=C(O)Nc1cccc(OCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
MAPK1 P28482 2/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
NR1H4 Q96RI1 3/20 0.49
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
FAAH O00519 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL4314263 0.86 SMN1; SMN2 (0.63) THRBALDH1A1RAB9ANPC1MEN1
SCHEMBL19743965 0.86 THRB (0.51) THRBMAPK1RAB9ANPC1LMNA
SCHEMBL5182631 0.84 THRB (0.64) THRBALDH1A1RECQLMAPK1RAB9A
SCHEMBL9858310 0.83 NR1H4 (0.68) THRBLMNANR1H4FAAH
SCHEMBL13652612 0.83 MTNR1A (0.57) THRBALDH1A1RAB9ANPC1LMNA
SCHEMBL5181338 0.83 THRB (0.75) THRBALDH1A1MAPK1MEN1KMT2A
SCHEMBL28208041 0.82 HTT (0.65) THRBALDH1A1RECQLRAB9ANPC1
SCHEMBL6046278 0.80 ALDH1A1 (0.60) ALDH1A1RECQLMAPK1LMNAMEN1
SCHEMBL595191 0.80 FAAH (0.51) THRBRAB9ANPC1LMNAMEN1
SCHEMBL4112574 0.80 NPC1 (0.56) RAB9ANPC1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO 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-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX THRB 524/4885ALDH1A1 3814/4885RECQL 1527/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX THRB 524/4885ALDH1A1 3814/4885RECQL 1527/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX THRB 524/4885ALDH1A1 3814/4885RECQL 1527/4885

“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.