SCHEMBL20100778

SCHEMBL20100778

CC(C)c1cc(=O)[nH]c2cc3c(cc12)CCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
AR P10275 12/20 0.44
CHEK1 O14757 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL15132841 0.80 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24391685 0.72 KDM4E (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22019743 0.71 MAPT (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22643826 0.70 AR (0.56) ARCHEK1KDM4EALDH1A1LMNA
SCHEMBL19690118 0.70 AR (0.56) ARKDM4EMEN1ALDH1A1LMNA
SCHEMBL1771171 0.69 CYP1A2 (0.61) ARKDM4EMEN1ALDH1A1LMNA
SCHEMBL22632703 0.69 AR (0.55) ARCHEK1ALDH1A1LMNAMAPT
SCHEMBL19690158 0.69 AR (0.55) ARCHEK1KDM4EALDH1A1LMNA
SCHEMBL1771625 0.69 AR (0.55) ARCHEK1KDM4EALDH1A1LMNA
SCHEMBL19975372 0.69 AR (0.45) ARCHEK1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-28 US disclosed
US-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2019-05-30 US disclosed
US-10034879-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-07-31 US disclosed
US-20180117040-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2018-05-03 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 (6 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-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB GRIN2D 3963/4885GRIN3B 3157/4885GRIN1 4421/4885
US-10034879-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB GRIN2D 3963/4885GRIN3B 3157/4885GRIN1 4421/4885
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB GRIN2D 3963/4885GRIN3B 3157/4885GRIN1 4421/4885
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB GRIN2D 3963/4885GRIN3B 3157/4885GRIN1 4421/4885
US-20180117040-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB GRIN2D 3963/4885GRIN3B 3157/4885GRIN1 4421/4885
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB GRIN2D 3963/4885GRIN3B 3157/4885GRIN1 4421/4885

“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.