SCHEMBL4551461

SCHEMBL4551461

CCCCCC(=O)CC(=O)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.62
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
AKR1B1 P15121 1/20 0.43
HSP90AA1 P07900 1/20 0.42
POLB P06746 1/20 0.42
POLA1 P09884 1/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
TSHR P16473 3/20 0.41
GPR84 Q9NQS5 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL4741014 0.85 CES2 (0.43) HAO1CES2CES1TSHRALDH1A1
SCHEMBL3009970 0.85 CES2 (0.64) HAO1CES2CES1KMT2AAKR1B1
SCHEMBL9366793 0.84 HAO1 (0.58) HAO1CES2CES1KMT2AMAPT
SCHEMBL16007022 0.83 CES2 (0.65) HAO1CES2CES1KMT2APPARG
SCHEMBL3188212 0.83 CES2 (0.65) HAO1CES2CES1KMT2APPARG
SCHEMBL7640351 0.83 CES2 (0.65) HAO1CES2CES1KMT2APPARG
SCHEMBL1088229 0.83 CES2 (0.65) HAO1CES2CES1KMT2APPARG
SCHEMBL3187591 0.83 CES2 (0.65) HAO1CES2CES1KMT2APPARG
SCHEMBL53567 0.83 CES2 (0.65) HAO1CES2CES1KMT2APPARG
SCHEMBL15708761 0.83 CES2 (0.65) HAO1CES2CES1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364467-A1 CHEMICAL INDUCERS OF NEUROGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-12-11 US disclosed
US-8778940-B2 Chemical inducers of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-06 US disclosed
US-8193225-B2 Isoxazole amides, derivatives and methods of chemical induction of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-06-05 US disclosed
US-20090036451-A1 Chemical inducers of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-02-05 US disclosed
WO-2008046072-A2 CHEMICAL INDUCERS OF NEUROGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-04-17 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-20140364467-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 HAO1 3701/4885CES2 545/4885CES1 3112/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 HAO1 3701/4885CES2 545/4885CES1 3112/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 HAO1 3701/4885CES2 545/4885CES1 3112/4885

“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.