SCHEMBL4570490

SCHEMBL4570490

CC[C@@H](O)COCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.68
CA2 P00918 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.52
KMT2A Q03164 2/20 0.50
RGS12 O14924 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
AGER Q15109 1/20 0.49

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
SCHEMBL2717725 1.00 CA1 (0.68) CA1CA2CA7CA9MAPK1
SCHEMBL5516631 1.00 CA1 (0.68) CA1CA2CA7CA9MAPK1
SCHEMBL38656190 0.91 CA1 (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL397022 0.88 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL9661261 0.87 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL24180413 0.85 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL14040676 0.85 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL21344946 0.85 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL10511102 0.85 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL12744230 0.85 CA1 (0.68) CA1CA2CA7CA9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244411-A1 TAU IMAGING PROBE CLINO LTD. (JP) 2016-08-25 US disclosed
US-20120122816-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION RESOLVYX PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20110245528-A1 THERAPEUTIC COMPOUNDS SCHWARTZ C ERIC 2011-10-06 US disclosed
US-20110190242-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE RESOLVYX PHARMACEUTICALS, INC. (US) 2011-08-04 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 (4 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-20110245528-A1 THERAPEUTIC COMPOUNDS ALOX5, ALOX15B, ALOX12 CA1 4716/4885CA2 4428/4885CA7 4743/4885
US-20110190242-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE ALOX15B, ALOX12, ALOX15 CA1 3959/4885CA2 3888/4885CA7 2340/4885
US-20120122816-A1 COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION ALOX5, ALOX15B, ALOX12 CA1 1608/4885CA2 3799/4885CA7 3023/4885
US-20160244411-A1 TAU IMAGING PROBE MAPT, PSEN1, PSEN2 CA1 250/4885CA2 1838/4885CA7 364/4885

“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.