SCHEMBL4880094

SCHEMBL4880094

CCOC(=O)CCCCCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PAM P19021 2/20 0.40
PDK2 Q15119 1/20 0.39
USP2 O75604 1/20 0.38
DNM1 Q05193 1/20 0.37
EPHX2 P34913 5/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12597463 0.82 PAOX (0.41) ALDH1A1ALOX15TSHRUSP2
SCHEMBL22889452 0.80 ALDH1A1 (0.49) DGKACYP1A2GAAALDH1A1ALOX15
SCHEMBL17450345 0.80 ALDH1A1 (0.54) DGKACYP1A2GAAALDH1A1ALOX15
SCHEMBL1533557 0.80 ALDH1A1 (0.54) DGKACYP1A2GAAALDH1A1ALOX15
SCHEMBL8421725 0.80 SMN1; SMN2 (0.36) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL4381355 0.80 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1TSHRHSD17B10
SCHEMBL15619097 0.78 ALDH1A1 (0.45) ALDH1A1ALOX15TDP1TSHRHSD17B10
SCHEMBL14779178 0.77 CA2 (0.46) ALDH1A1ALOX15TSHRUSP2EPHX2
SCHEMBL2735589 0.77 CA2 (0.46) ALDH1A1ALOX15TSHRUSP2EPHX2
SCHEMBL4952312 0.77 CA2 (0.46) ALDH1A1ALOX15TSHRUSP2EPHX2

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-20150080538-A1 Polyoxazolines with Inert Terminating Groups, Polyoxazolines Prepared from Protected Initiating Groups and Related Compounds SERINA THERAPEUTICS (AL), INC. 2015-03-19 US disclosed
US-8716491-B2 Benzimidazolium dyes and their use as fluorescent chemosensors NEW YORK UNIVERSITY (US) 2014-05-06 US disclosed
US-20110123453-A1 Polyoxazolines with Inert Terminating Groups, Polyoxazolines Prepared from Protected Initiating Groups and Related Compounds SERINA THERAPEUTICS, INC. (US) 2011-05-26 US disclosed
WO-2010006282-A2 POLYOXAZOLINES WITH INERT TERMINATING GROUPS, POLYOXAZOLINES PREPARED FROM PROTECTED INITIATING GROUPS AND RELATED COMPOUNDS SERINA THERAPEUTICS, INC. (US) 2010-01-14 WO disclosed
US-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS NEW YORK UNIVERSITY (US) 2008-07-03 US 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-20110123453-A1 Polyoxazolines with Inert Terminating Groups, Polyoxazolines Prepared from Protected Initiating Groups and Related Compounds PHOSPHO1, PIP4K2B, PIP4K2C DGKA 315/4885CYP1A2 1259/4885GAA 950/4885
US-20080160521-A1 BENZIMIDAZOLIUM DYES AND THEIR USE AS FLUORESCENT CHEMOSENSORS IK, C9, CBR3 DGKA 4657/4885CYP1A2 1915/4885GAA 3996/4885

“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.