SCHEMBL12306249

SCHEMBL12306249

CC(OC(=O)OC1CC1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
MAPT P10636 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20051876 0.93 CYP19A1 (0.35) CYP19A1MAPTSMN1; SMN2
SCHEMBL18995117 0.93 CYP19A1 (0.35) CYP19A1MAPTSMN1; SMN2
SCHEMBL19500215 0.93
SCHEMBL12306247 0.92 CYP19A1 (0.40) CYP19A1HTTSMN1; SMN2
SCHEMBL15944506 0.91 CYP19A1 (0.42) CYP19A1KDM4EHTTSMN1; SMN2
SCHEMBL15944505 0.91 CYP19A1 (0.42) CYP19A1KDM4EHTTSMN1; SMN2
SCHEMBL12255658 0.91 CYP19A1 (0.42) CYP19A1KDM4EHTTSMN1; SMN2
SCHEMBL16731581 0.91 CYP19A1 (0.42) CYP19A1KDM4EHTTSMN1; SMN2
SCHEMBL16731577 0.86
SCHEMBL6445826 0.85 SERPINE1 (0.35) CYP19A1

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-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 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 (2 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M CYP19A1 673/4885MAPT 3937/4885APOBEC3A 4567/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M CYP19A1 901/4885MAPT 3888/4885APOBEC3A 4348/4885

“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.