SCHEMBL9891008

SCHEMBL9891008

CCOC(=O)C(C)(CC)CCC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 2/20 0.32
MAPT P10636 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
ALOX15 P16050 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL9890999 0.84 CYP4F2 (0.35) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL16790153 0.84 CYP4F2 (0.47) GNAI3GNAO1GNAI1CYP4F2CYP4A11
SCHEMBL9891000 0.83 SMYD3 (0.37) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL9891004 0.79 GAA (0.39) MEN1KMT2AMAPTTHRB
SCHEMBL22043088 0.78 SLC6A2 (0.39) GNAI3GNAO1GNAI1CYP4F2CYP4A11
SCHEMBL9891006 0.77 HPGD (0.44) MEN1KMT2APKM
SCHEMBL8634358 0.77 GNAI3 (0.35) GNAI3GNAO1GNAI1SLC6A2SLC6A4
SCHEMBL8634355 0.77 GNAI3 (0.35) GNAI3GNAO1GNAI1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL21994462 0.76 SLC6A2 (0.41) GNAI3GNAO1GNAI1CYP4F2CYP4A11
SCHEMBL17617167 0.74 CYP4F2 (0.44) CYP4F2CYP4A11MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142722-A1 CONJUGATES OF CYTOTOXIC DRUGS APOSENSE LTD. (IL) 2012-06-07 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-20120142722-A1 CONJUGATES OF CYTOTOXIC DRUGS CD47, MCL1, BAD GNAI3 1558/4885GNAO1 3245/4885GNAI1 1552/4885

“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.