SCHEMBL22265010

SCHEMBL22265010

CC1(C)OB(c2ccc(OCCN3CCCC3)c(/C=C/C(=O)O)c2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
BCHE P06276 2/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HIF1AN Q9NWT6 3/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
LMNA P02545 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
SCHEMBL22273399 0.88 ACHE (0.52) ACHEMEN1KMT2ABCHEALDH1A1
SCHEMBL28672933 0.80 MEN1 (0.41) ACHEMEN1KMT2ABCHEALDH1A1
SCHEMBL4154959 0.79 LTA4H (0.53) ACHEBCHEKDM4ESMN1; SMN2CYP1A2
SCHEMBL3561000 0.78 LTA4H (0.50) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL22264759 0.78 MEN1 (0.63) ACHEMEN1KMT2ABCHEHRH1
SCHEMBL4111762 0.74 DGAT1 (0.49) SMN1; SMN2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL4091425 0.74 HRH3 (0.48) ALDH1A1KDM4ESMN1; SMN2DRD3
SCHEMBL871366 0.74 LTA4H (0.54) ALDH1A1KDM4E
SCHEMBL17531642 0.74 DGAT1 (0.48) SMN1; SMN2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL585479 0.73 PSMB1 (0.55) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 EP disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
US-20210380590-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. 2021-12-09 US disclosed
EP-3914256-A1 GPR35 MODULATORS Prometheus Biosciences, Inc. (US) 2021-12-01 EP disclosed
CN-113631168-A GPR35 modulators 普罗米修斯生物科学公司 2021-11-09 CN disclosed
US-11053251-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2021-07-06 US disclosed
WO-2020154492-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. (US) 2020-07-30 WO disclosed
US-20200239476-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. 2020-07-30 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 (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-20210380590-A1 GPR35 MODULATORS GPR35, GPR55, GPR65 ACHE 4392/4885MEN1 3744/4885KMT2A 4331/4885
US-11053251-B2 GPR35 modulators GPR35, GPR55, GPR65 ACHE 4392/4885MEN1 3744/4885KMT2A 4331/4885
US-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 ACHE 4392/4885MEN1 3744/4885KMT2A 4331/4885
US-20200239476-A1 GPR35 MODULATORS GPR35, GPR55, GPR65 ACHE 4392/4885MEN1 3744/4885KMT2A 4331/4885

“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.