SCHEMBL3636037

SCHEMBL3636037

Cc1c(OC(C)C)cccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.54
ALDH1A1 P00352 5/20 0.47
EZH2 Q15910 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
PTGER1 P34995 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNK3 O14649 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
SCHEMBL27933650 0.87 IRAK4 (0.56) IRAK4ALDH1A1EZH2KDM4ETDP1
SCHEMBL27370629 0.84 IRAK4 (0.72) IRAK4ALDH1A1EZH2KCNK3KCNK9
SCHEMBL4857330 0.83 PTGER1 (0.45) ALDH1A1EZH2KDM4EHPGDHSD17B10
SCHEMBL16954345 0.83 IRAK4 (0.50) IRAK4ALDH1A1EZH2TDP1KCNK3
SCHEMBL104892 0.83 IRAK4 (0.70) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15814203 0.83 IRAK4 (0.51) IRAK4ALDH1A1EZH2KDM4EHPGD
SCHEMBL30625923 0.82 IRAK4 (0.54) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27747076 0.82 IRAK4 (0.54) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1818841 0.82 IRAK4 (0.54) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10763308 0.81 IRAK4 (0.68) IRAK4ALDH1A1KDM4EHPGDHSD17B10

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339303-B9 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2021-07-21 EP disclosed
EP-3339303-B9 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2021-07-21 EP disclosed
EP-3339303-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2020-06-24 EP disclosed
US-10246433-B2 Aryl and heteroaryl fused lactams PFIZER INC. (US) 2019-04-02 US disclosed
US-10246433-B2 Aryl and heteroaryl fused lactams PFIZER INC. (US) 2019-04-02 US disclosed
EP-3339303-A1 ARYL AND HETEROARYL FUSED LACTAMS Pfizer Inc (US) 2018-06-27 EP disclosed
EP-3339303-A1 ARYL AND HETEROARYL FUSED LACTAMS Pfizer Inc (US) 2018-06-27 EP disclosed
EP-2935238-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2017-12-27 EP disclosed
EP-2935238-B1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER (US) 2017-12-27 EP disclosed
US-20170233368-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2017-08-17 US disclosed
US-9040515-B2 Aryl and heteroaryl fused lactams PFIZER INC. (US) 2015-05-26 US disclosed
US-9040515-B2 Aryl and heteroaryl fused lactams PFIZER INC. (US) 2015-05-26 US disclosed
US-9040515-B2 Aryl and heteroaryl fused lactams PFIZER INC. (US) 2015-05-26 US disclosed
WO-2014097041-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2014-06-26 WO disclosed
WO-2014097041-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2014-06-26 WO disclosed
US-20140179667-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2014-06-26 US disclosed
US-20140179667-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2014-06-26 US disclosed
US-20140179667-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2014-06-26 US disclosed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 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-20140179667-A1 ARYL AND HETEROARYL FUSED LACTAMS CCNY, MLX, NFXL1 IRAK4 3867/4885ALDH1A1 2245/4885EZH2 1688/4885
US-20170233368-A1 ARYL AND HETEROARYL FUSED LACTAMS CCNY, MLX, NFXL1 IRAK4 3867/4885ALDH1A1 2245/4885EZH2 1688/4885
US-10246433-B2 Aryl and heteroaryl fused lactams CCNY, MLX, NFXL1 IRAK4 3867/4885ALDH1A1 2245/4885EZH2 1688/4885

“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.