SCHEMBL9968964

SCHEMBL9968964

[2H]C1C=C(C(C)(C)C)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL14361724 1.00 ALDH1A1 (0.36) ALDH1A1MAPTMCL1ATM
SCHEMBL14361721 1.00 ALDH1A1 (0.36) ALDH1A1MAPTMCL1ATM
SCHEMBL9944591 0.77 MAPT (0.39) ALDH1A1MAPTMCL1ATM
SCHEMBL17617312 0.65 ALDH1A1 (0.36) ALDH1A1MAPTMCL1ATM
SCHEMBL4657978 0.59 ATM (0.50) ALDH1A1MAPTMCL1ATM
SCHEMBL21942421 0.56
SCHEMBL4305888 0.56 MAPT (0.40) ALDH1A1MAPTMCL1ATM
SCHEMBL3215431 0.56 ALDH1A1 (0.40) ALDH1A1MAPTMCL1ATM
SCHEMBL1425285 0.55 RXRB (0.40) ALDH1A1MAPT
SCHEMBL7903760 0.55 ALDH1A1 (0.39) ALDH1A1MAPTMCL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885MAPT 4552/4885MCL1 219/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC ALDH1A1 3986/4885MAPT 4336/4885MCL1 51/4885

“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.