SCHEMBL13044801

SCHEMBL13044801

CCOC(=O)[C@H]1CC[C@H](CF)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.46
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LGMN Q99538 1/20 0.40

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
SCHEMBL15443234 1.00 MAPT (0.49) MAPTMEN1KMT2AALDH1A1PPM1B
SCHEMBL2375356 0.85 MAPT (0.60) MAPTMEN1KMT2AALDH1A1PPM1B
SCHEMBL8891623 0.85 MAPT (0.60) MAPTMEN1KMT2AALDH1A1PPM1B
SCHEMBL4221 0.85
SCHEMBL237380 0.85 MAPT (0.60) MAPTMEN1KMT2AALDH1A1PPM1B
SCHEMBL15200294 0.84 MAPT (0.51) MAPTMEN1KMT2AALDH1A1PPM1B
SCHEMBL11541707 0.84 MAPT (0.51) MAPTMEN1KMT2AALDH1A1PPM1B
SCHEMBL11009726 0.84 MAPT (0.51) MAPTMEN1KMT2AALDH1A1PPM1B
Hydrochloric Acid SCHEMBL28788727 0.83
SCHEMBL2374740 0.82 MAPT (0.50) MAPTMEN1KMT2AALDH1A1PPM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 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 (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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B MAPT 3382/4885MEN1 4767/4885KMT2A 2905/4885

“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.