SCHEMBL3671978

SCHEMBL3671978

CCCC(CO)C(O)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CETP P11597 1/20 0.32
HTT P42858 1/20 0.32
UBE2N P61088 1/20 0.32
METAP1 P53582 1/20 0.30

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
SCHEMBL1404261 0.84 LMNA (0.56) LMNATSHRTDP1CYP2D6SPHK1
SCHEMBL9272640 0.83 TSHR (0.44) LMNATSHRTDP1
SCHEMBL17464910 0.82 LMNA (0.64) LMNATSHRTDP1CYP2D6SPHK1
SCHEMBL6436313 0.81 LMNA (0.56) LMNATSHRTDP1
SCHEMBL1614519 0.81 TSHR (0.46) LMNATSHRTDP1METAP1
SCHEMBL16207737 0.80 TSHR (0.42) LMNATSHRTDP1
SCHEMBL18961175 0.80 LMNA (0.61) LMNATSHRTDP1CYP2D6SPHK1
SCHEMBL13757121 0.80 LMNA (0.61) LMNATSHRTDP1CYP2D6SPHK1
SCHEMBL8757790 0.80 LMNA (0.76) LMNATSHRTDP1CYP2D6SPHK1
SCHEMBL5154336 0.78 LMNA (0.65) LMNATSHRTDP1CYP2D6SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
EP-2164629-A1 PROCESS OF OXIDATIVE DEHYDROGENATION USING A BORIA-ALUMINA CATALYST Saudi Basic Industries Corporation (SA) 2010-03-24 EP disclosed
WO-2008141827-A1 PROCESS OF OXIDATIVE DEHYDROGENATION USING A BORIA-ALUMINA CATALYST SAUDI BASIC INDUSTRIES CORPORATION (SA) 2008-11-27 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 (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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 LMNA 3635/4885TSHR 737/4885TDP1 4738/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 LMNA 3635/4885TSHR 737/4885TDP1 4738/4885

“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.