SCHEMBL18487563

SCHEMBL18487563

CCCCOc1ccc(O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
NR5A1 Q13285 1/20 0.49
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
TYR P14679 2/20 0.44
ESR1 P03372 4/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL25797619 0.93 THRA (0.54) LTA4HNR5A1THRATHRBMEN1
SCHEMBL9641086 0.93 THRA (0.54) LTA4HNR5A1THRATHRBMEN1
SCHEMBL11243691 0.89 L3MBTL1 (0.43) THRATHRBMAPTL3MBTL1ALDH1A1
SCHEMBL28503701 0.88 ESR1 (0.49) MEN1MAPTKMT2AL3MBTL1NPC1
SCHEMBL25797851 0.87 THRA (0.43) NR5A1THRATHRBMEN1KMT2A
SCHEMBL25797919 0.87 THRA (0.43) NR5A1THRATHRBMEN1KMT2A
SCHEMBL11234657 0.87 THRA (0.43) NR5A1THRATHRBMEN1KMT2A
SCHEMBL28288741 0.86 LTA4H (0.49) LTA4HNR5A1MEN1MAPTKMT2A
SCHEMBL1510012 0.83 KDM1A (0.50) LTA4HTHRBMEN1MAPTKMT2A
SCHEMBL8451142 0.83 ESR1 (0.47) NR5A1THRATHRBESR1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170080095-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES APOSENSE LTD. (IL) 2017-03-23 US disclosed
US-20170037401-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES APOSENSE LTD. (IL) 2017-02-09 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-20170080095-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES ABCB4, LNPK, MBOAT1 LTA4H 2172/4885NR5A1 4717/4885THRA 1388/4885
US-20170037401-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES ABCB4, LNPK, MBOAT1 LTA4H 2172/4885NR5A1 4717/4885THRA 1388/4885

“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.