SCHEMBL18177313

SCHEMBL18177313

COCc1cc(C(C)(C)C)c(O)c(O)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
PRKCE Q02156 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MYLK Q15746 2/20 0.46
PRKCG P05129 1/20 0.46
PRKCA P17252 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
HSPA5 P11021 2/20 0.41
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40
HIF1A Q16665 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL3706484 0.86 ALDH1A1 (0.46) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL5513040 0.79 CA2 (0.41) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL15413361 0.78 ALDH1A1 (0.48) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL6057485 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL12309156 0.75 HSPA5 (0.68) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL38917 0.73 CA2 (0.55) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL5587534 0.72 ALOX15 (0.55) ALDH1A1MAPTMEN1KMT2ACA2
SCHEMBL30631016 0.71 ALDH1A1 (0.39) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL11366818 0.71 PRKCE (0.44) ALDH1A1MAPTPRKCEMEN1KMT2A
SCHEMBL14000559 0.70 HSPA5 (0.67) ALDH1A1MAPTPRKCEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD ALDH1A1 54/4885MAPT 2722/4885PRKCE 3085/4885

“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.