SCHEMBL17084597

SCHEMBL17084597

COc1cc(C)c(OC)c(C(C)C)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
GFER P55789 2/20 0.42
GAA P10253 1/20 0.42
ACHE P22303 1/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
AKR1B1 P15121 4/20 0.36
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA9 Q16790 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
SCHEMBL11974270 0.83 POLB (0.44) POLBGFERGAAACHEPDE3B
SCHEMBL16134098 0.83 POLB (0.44) POLBGFERGAAACHEPDE3B
SCHEMBL16133970 0.81 PDE3B (0.43) POLBGFERGAAACHEPDE3B
SCHEMBL1635426 0.78 ACHE (0.50) POLBGFERGAAACHECYP3A4
SCHEMBL29793476 0.78 ACHE (0.50) POLBGFERGAAACHECYP3A4
Isoespintanol SCHEMBL17442883 0.77 AKR1B1 (0.42) POLBGFERGAAACHEPDE3B
SCHEMBL7706095 0.76 ACHE (0.48) POLBGFERGAAACHECYP3A4
Iodide SCHEMBL8935417 0.76 ACHE (0.48) POLBGFERGAAACHECYP3A4
Bromide SCHEMBL8935516 0.74 ACHE (0.46) POLBGFERGAAACHECYP3A4
Bromide SCHEMBL8935512 0.74 ACHE (0.46) POLBGFERGAAACHECYP3A4

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-9744186-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2017-08-29 US disclosed
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS THE OHIO STATE UNIVERSITY 2016-12-08 US disclosed
US-9447137-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2016-09-20 US disclosed
US-20150259375-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS THE OHIO STATE UNIVERSITY 2015-09-17 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-20150259375-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS TYMP, GMNN, SAMHD1 POLB 206/4885GFER 3718/4885GAA 122/4885
US-20160354399-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS KRAS, NRAS, GMNN POLB 294/4885GFER 3327/4885GAA 124/4885

“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.