SCHEMBL12379210

SCHEMBL12379210

CC(=O)Sc1ccccc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA4 P22748 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
RBP4 P02753 2/20 0.40
CETP P11597 1/20 0.37
ATM Q13315 1/20 0.37
P2RY2 P41231 1/20 0.36
P2RY1 P47900 1/20 0.36
P2RY14 Q15391 1/20 0.36
MAPK1 P28482 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4736600 0.79 ALDH1A1 (0.39) CA2CA12CA1CA4CA7
SCHEMBL9754121 0.76 RBP4 (0.40) CA2CA12CA1CA4CA7
SCHEMBL17744979 0.74 ALDH1A1 (0.40) CA2CA12CA1CA4CA7
SCHEMBL943247 0.73 TDP1 (0.48) CA2ALDH1A1TDP1TSHRRBP4
SCHEMBL6364715 0.73 TDP1 (0.48) CA2ALDH1A1TDP1TSHRRBP4
SCHEMBL28480606 0.72 CA12 (0.59) CA2CA12CA1CA4CA7
SCHEMBL5586487 0.72 CA12 (0.59) CA2CA12CA1CA4CA7
SCHEMBL10892208 0.72 CA12 (0.59) CA2CA12CA1CA4CA7
SCHEMBL10585500 0.72 CA1 (0.53) CA2CA12CA1CA4CA7
SCHEMBL9885328 0.72 ALDH1A1 (0.46) CA2ALDH1A1TDP1TSHRRBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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 (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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 CA2 1905/4885CA12 4170/4885CA1 4489/4885

“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.