SCHEMBL6064540

SCHEMBL6064540

CC(=O)CC(O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.41
EPHX1 P07099 3/20 0.40
VKORC1 Q9BQB6 2/20 0.40
SHBG P04278 1/20 0.38
DHODH Q02127 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP2 P08253 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL6442424 1.00 TP53 (0.50) TP53KDM4EGMNNLMNAMAPT
SCHEMBL3864310 0.80 ALDH1A1 (0.57) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5575741 0.80 ALDH1A1 (0.57) TP53KDM4EGMNNLMNAMAPT
SCHEMBL3864316 0.80 ALDH1A1 (0.57) TP53KDM4EGMNNLMNAMAPT
SCHEMBL8948028 0.79 PIK3CD (0.40) SMN1; SMN2ALDH1A1VKORC1TDP1
SCHEMBL1698454 0.78 TP53 (0.56) TP53KDM4EGMNNLMNAMAPT
SCHEMBL4742218 0.78 ALDH1A1 (0.42) TP53ALDH1A1EPHX1VKORC1SHBG
SCHEMBL17715691 0.78 ALDH1A1 (0.42) TP53ALDH1A1EPHX1VKORC1SHBG
SCHEMBL4452640 0.78 EPHX2 (0.46) TP53KDM4EGMNNLMNAMAPT
SCHEMBL27512417 0.78 EPHX2 (0.46) TP53KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638913-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2006-03-29 EP disclosed
US-6960694-B2 Processes for preparing β-hydroxy-ketones and α,β-unsaturated ketones EASTMAN CHEMICAL COMPANY (US) 2005-11-01 US disclosed
US-6919456-B2 Catalytic compositions and methods for asymmetric aldol reactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-07-19 US disclosed
WO-2005005361-A1 PROCESSES FOR PREPARING BETA-HYDROXY-KETONES AND ALPHA, BETA-UNSATURATED KETONES EASTMAN CHEMICAL COMPANY (US) 2005-01-20 WO disclosed
US-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EASTMAN CHEMICAL COMPANY 2005-01-06 US disclosed
EP-1409122-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-04-21 EP disclosed
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-6610889-B2 Using organometallic complex catalyst THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-08-26 US disclosed
US-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-10 US disclosed
WO-2002041984-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2002-05-30 WO 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 (3 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-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A TP53 3679/4885KDM4E 3834/4885GMNN 1620/4885
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A TP53 3679/4885KDM4E 3834/4885GMNN 1620/4885
US-20050004401-A1 Processes for preparing beta-hydroxy-ketones and alpha,beta-unsaturated ketones EBP, CYP8B1, BCKDK TP53 3279/4885KDM4E 2191/4885GMNN 2748/4885

“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.