SCHEMBL622698

SCHEMBL622698

CC(C)(C)OC(=O)C(=O)CC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.40
HTR2A P28223 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3630096 0.80 KMT2A (0.48) POLBCA1CA2KMT2AFABP7
SCHEMBL4690513 0.75 KMT2A (0.49) POLBCA1CA2KMT2AFABP7
SCHEMBL29099218 0.75 POLB (0.40) TSHRPOLBHTR2ACA1CA2
SCHEMBL409927 0.75 ALDH1A1 (0.51) TSHRPOLBHTR2ACA1CA2
SCHEMBL3637629 0.74 MALT1 (0.47) KMT2A
SCHEMBL4216373 0.73 KMT2A (0.60) KMT2AFABP7FABP5
SCHEMBL8279094 0.72 POLB (0.50) TSHRPOLBHTR2ACA1CA2
SCHEMBL31307358 0.72 KMT2A (0.51) KMT2A
SCHEMBL14862502 0.72 KMT2A (0.49) HTR2ACA1CA2KMT2AFABP7
SCHEMBL4064231 0.72 KMT2A (0.49) CA1CA2KMT2AFABP7FABP5

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
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 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 (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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 TSHR 1070/4885POLB 3109/4885HTR2A 3387/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH TSHR 1602/4885POLB 2563/4885HTR2A 3813/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH TSHR 1602/4885POLB 2563/4885HTR2A 3813/4885

“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.