SCHEMBL5240446

SCHEMBL5240446

CC1(C2CCC(O)CC2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.39
TSHR P16473 2/20 0.36
LIPA P38571 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
SHBG P04278 2/20 0.31
SERPINA6 P08185 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8484507 0.98 NR1I3 (0.38) NR1I3TSHRLIPAGAALMNA
SCHEMBL8484503 0.98 NR1I3 (0.38) NR1I3TSHRLIPAGAALMNA
SCHEMBL8488656 0.90 TSHR (0.33) NR1I3TSHRLMNAGPBAR1SHBG
SCHEMBL8488657 0.90 TSHR (0.33) NR1I3TSHRLMNAGPBAR1SHBG
SCHEMBL9815688 0.87 NR1I3 (0.40) NR1I3TSHRLMNAGPBAR1SHBG
SCHEMBL497942 0.87
SCHEMBL7132308 0.78 LIPA (0.40) TSHRLIPAGAALMNAHSD17B10
SCHEMBL2568051 0.78 LIPA (0.40) TSHRLIPAGAALMNAHSD17B10
SCHEMBL15261953 0.78 LIPA (0.40) TSHRLIPAGAALMNAHSD17B10
SCHEMBL497572 0.78 LIPA (0.40) TSHRLIPAGAALMNAHSD17B10

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
EP-1863571-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY Shering Corporation (US) 2007-12-12 EP disclosed
US-20060281778-A1 Compounds for inhibiting KSP Kinesin activity SCHERING CORPORATION 2006-12-14 US disclosed
WO-2006098962-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 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 (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-20060281778-A1 Compounds for inhibiting KSP Kinesin activity KIFC1, KIF5B, KIF2C NR1I3 2144/4885TSHR 4460/4885LIPA 4396/4885

“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.