SCHEMBL22074459

SCHEMBL22074459

CCOC(=O)Cn1cc(OC)ccc1=N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
PPARG P37231 1/20 0.46
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL16867095 0.83 ALDH1A1 (0.48) POLBPPARGLMNARAB9AALDH1A1
SCHEMBL14821764 0.81 POLB (0.46) POLBPPARGLMNANPC1RAB9A
Bromide SCHEMBL7918168 0.79 PPARG (0.44) POLBPPARGLMNARAB9AALDH1A1
Bromide SCHEMBL11028063 0.79 POLB (0.45) POLBPPARGLMNAALDH1A1MAPT
SCHEMBL16870810 0.77 PPARG (0.48) POLBPPARGLMNAALDH1A1MAPT
SCHEMBL22077835 0.76 MAPT (0.39) RAB9AALDH1A1MAPTCYP3A4KMT2A
SCHEMBL3576418 0.74 KDM4E (0.51) POLBLMNAALDH1A1MAPTCYP1A2
SCHEMBL5183007 0.73 NPC1 (0.47) POLBPPARGLMNANPC1RAB9A
Bromide SCHEMBL3576414 0.73 KDM4E (0.50) POLBLMNAALDH1A1MAPTCYP1A2
SCHEMBL29138523 0.71 MTNR1A (0.56) LMNANPC1RAB9APDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 US disclosed
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2020114475-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE 上海济煜医药科技有限公司 2020-06-11 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 (1 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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 POLB 4638/4885PPARG 1006/4885LMNA 4347/4885

“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.