SCHEMBL3782873

SCHEMBL3782873

CC1(C)OC(CN2C(=O)c3ccccc3C2=O)C(C(=O)O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 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
SCHEMBL3775347 0.86 ALDH1A1 (0.46) ALDH1A1CA12CA9LMNAMEN1
SCHEMBL4142104 0.81 CA12 (0.40) ALDH1A1CA12CA9ACHELMNA
SCHEMBL16418145 0.78 CASP3 (0.42) ALDH1A1CA12CA9CYP1A2CYP2C9
SCHEMBL3777727 0.77 ACHE (0.44) ALDH1A1CA12CA9CYP1A2CYP2C9
SCHEMBL17983228 0.75 ALDH1A1 (0.52) ALDH1A1CA12CA9CYP1A2CYP2C9
SCHEMBL4773233 0.74 KMT2A (0.38) ALDH1A1CA12CA9ACHELMNA
SCHEMBL18091410 0.74 ALDH1A1 (0.46) ALDH1A1CA9CYP1A2CYP2C9CYP2C19
SCHEMBL20033568 0.74 ALDH1A1 (0.46) ALDH1A1CA9CYP1A2CYP2C9CYP2C19
SCHEMBL6274051 0.74 CYP1A2 (0.40) ALDH1A1CA12CA9CYP1A2CYP2C9
SCHEMBL18121289 0.74 ALDH1A1 (0.46) ALDH1A1CA9CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230333095-A1 METHOD FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-10-19 US disclosed
US-20230333095-A1 METHOD FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-10-19 US disclosed
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-20090118519-A1 Production Method of Polycyclic Lactams SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 US disclosed
EP-2014647-A1 PROCESS FOR PRODUCING POLYCYCLIC LACTAM Sumitomo Chemical Company, Limited (JP) 2009-01-14 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 (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-20090118519-A1 Production Method of Polycyclic Lactams MRPL21, COASY, ASNS ALDH1A1 1979/4885CA12 786/4885CA9 216/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS ALDH1A1 1821/4885CA12 784/4885CA9 221/4885
US-20230333095-A1 METHOD FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE ENTPD5, KLK3, GUSB ALDH1A1 292/4885CA12 7/4885CA9 78/4885

“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.