SCHEMBL1367719

SCHEMBL1367719

COC(=O)CCCC(C)(OC)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.37
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PTPRB P23467 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 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
SCHEMBL405593 0.86 TSHR (0.55) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL31214626 0.83 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL1908797 0.82 TSHR (0.64) TSHRLMNAALDH1A1RECQLKMT2A
Hydrochloric Acid SCHEMBL27984675 0.80 TSHR (0.61) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL28464704 0.78 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL28433472 0.78 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL28325237 0.78 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL19432369 0.78 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL8851825 0.78 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL28196124 0.78 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A

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-8916137-B2 Monofunctional carbocyanine dyes for in vivo and in vitro imaging THE GENERAL HOSPITAL CORPORATION (US) 2014-12-23 US disclosed
US-20110286933-A1 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2011-11-24 US disclosed
WO-2010054330-A2 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2010-05-14 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-20110286933-A1 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING MKI67, HCCS, PYCR1 TSHR 4683/4885LMNA 2640/4885ALDH1A1 485/4885

“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.