SCHEMBL594607

SCHEMBL594607

O=C(O)NCc1ccc(OCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TSHR P16473 3/20 0.51
RECQL P46063 2/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
S1PR1 P21453 1/20 0.47
FAAH O00519 2/20 0.47
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR7 P34969 1/20 0.45
MMP13 P45452 1/20 0.44

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
SCHEMBL5222701 0.85 FAAH (0.63) ALDH1A1LMNAFAAHCYP1A2CYP2D6
SCHEMBL29982783 0.83 TSHR (0.54) TSHRRECQLALDH1A1LMNAFAAH
SCHEMBL14836108 0.83 MEN1 (0.46) TSHRRECQLALDH1A1LMNAKMT2A
SCHEMBL14836104 0.83 MEN1 (0.46) TSHRRECQLALDH1A1LMNAKMT2A
SCHEMBL23755008 0.81 HRH3 (0.60) TSHRALDH1A1LMNACYP2C19
SCHEMBL1695202 0.81 TP53 (0.60) TSHRALDH1A1LMNAS1PR1FAAH
SCHEMBL28275379 0.81 MAPK1 (0.60) GAATSHRRECQLALDH1A1LMNA
SCHEMBL15514715 0.81 NPC1 (0.66) LMNAKMT2ANPC1RAB9A
SCHEMBL26601296 0.80 TSHR (0.50) TSHRRECQLALDH1A1LMNAFAAH
SCHEMBL11533429 0.79 CYP2C9 (0.65) GAATSHRALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197694-A1 MODIFIED PROTEINS AND PROTEIN BINDERS CULLGEN (SHANGHAI), INC. (CN) 2024-06-20 US disclosed
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 (4 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 GAA 3546/4885TSHR 1965/4885RECQL 1527/4885
US-20240197694-A1 MODIFIED PROTEINS AND PROTEIN BINDERS DCAF1, DDB1, CUL4A GAA 3358/4885TSHR 3976/4885RECQL 976/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX GAA 3546/4885TSHR 1965/4885RECQL 1527/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX GAA 3546/4885TSHR 1965/4885RECQL 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.