SCHEMBL12424445

SCHEMBL12424445

CCC(C)(C)CCC1CCCO1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
PKM P14618 2/20 0.35
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL12212648 0.82 EPHX1 (0.38) EPHX1PKMALDH1A1KMT2AGAA
SCHEMBL19441508 0.80 PKM (0.36) PKMALDH1A1KMT2AGAARAB9A
SCHEMBL12255004 0.77 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2
SCHEMBL17199768 0.77 ALDH1A1 (0.35) EPHX1PKMALDH1A1KMT2AGAA
Propane SCHEMBL28454658 0.77 EPHX1 (0.48) EPHX1PKMALDH1A1KMT2AGAA
SCHEMBL13093618 0.76 EPHX1 (0.36) EPHX1PKMALDH1A1KMT2AGAA
SCHEMBL12424265 0.74
SCHEMBL2632847 0.74
SCHEMBL105953 0.74
SCHEMBL1173586 0.74 ALDH1A1 (0.40) EPHX1PKMALDH1A1KMT2ALMNA

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 EPHX1 650/4885PKM 1313/4885ALDH1A1 1168/4885

“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.