SCHEMBL8993992

SCHEMBL8993992

CN(CCCC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
BCHE P06276 1/20 0.40
MMP14 P50281 1/20 0.39
TP53 P04637 1/20 0.38
ALOX5 P09917 1/20 0.38
MMP2 P08253 1/20 0.38
LTA4H P09960 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL8993963 0.85 MMP14 (0.38) CYP3A4CYP2C9CYP2C19L3MBTL1MMP14
SCHEMBL6437793 0.82 MEN1 (0.42) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL30826512 0.82 LTA4H (0.52) SMN1; SMN2MEN1KMT2APPARGBCHE
SCHEMBL2677344 0.80 MMP14 (0.55) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9100684 0.80 CKS1B (0.52) MEN1CYP3A4CYP2C19KMT2ABCHE
SCHEMBL8993937 0.79 SMN1; SMN2 (0.63) SMN1; SMN2CYP3A4CYP2C9CYP2C19TP53
SCHEMBL31310823 0.79 AKT1 (0.49) MEN1KMT2AL3MBTL1BCHEALOX5
SCHEMBL7299721 0.79 AKT1 (0.52) MEN1KMT2AL3MBTL1BCHEALOX5
SCHEMBL11373469 0.78 PPARG (0.47) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL4764555 0.78 GBA1 (0.51) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19

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-4204398-A2 CONJUGATES INCLUDING A DETECTABLE MOIETY Ventana Medical Systems, Inc. (US) 2023-07-05 EP disclosed
US-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. 2023-06-22 US disclosed
US-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. 2023-06-22 US disclosed
US-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. 2023-06-22 US disclosed
WO-2022043491-A2 CONJUGATES INCLUDING A DETECTABLE MOIETY VENTANA MEDICAL SYSTEMS, INC. (US) 2022-03-03 WO disclosed
US-5532171-A PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
US-5344928-A Phenothiazine compounds for cancer treatment or immunoassay using chemiluminescence TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-06 US disclosed
EP-0510668-A2 Phenothiazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP 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-20230192658-A1 CONJUGATES INCLUDING A DETECTABLE MOIETY CD2BP2, CD47, CD44 SMN1; SMN2 1636/4885MEN1 647/4885CYP3A4 2622/4885

“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.