SCHEMBL10636655

SCHEMBL10636655

C=CC(O)CCOCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TRPA1 O75762 1/20 0.32
DDAH1 O94760 1/20 0.32
GAPDH P04406 1/20 0.32

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
SCHEMBL14307036 0.88 HSD17B10 (0.41) USP2CYP3A4CYP1A2CYP2C19
SCHEMBL9187817 0.82 TSHR (0.43) TSHRHPGDHTTMAPTMEN1
SCHEMBL355988 0.82 USP2 (0.46) TSHRHPGDHTTUSP2CYP3A4
SCHEMBL4948086 0.82 USP2 (0.46) TSHRHPGDHTTUSP2CYP3A4
SCHEMBL584131 0.81 ALDH1A1 (0.30) TSHR
SCHEMBL10063300 0.78
SCHEMBL187210 0.78
SCHEMBL17787241 0.78
SCHEMBL13841296 0.77 TSHR (0.42) TSHRHPGDHTTMAPTMEN1
SCHEMBL1784666 0.77 TSHR (0.50) TSHRHPGDHTTMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168190-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS ORAGENICS, INC. 2016-06-16 US disclosed
US-20150175650-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2015-06-25 US disclosed
WO-2015095339-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS, INC. (US) 2015-06-25 WO disclosed
US-4766181-A Silicone-modified polyester resin and silicone-sheathed polyester fibers made therefrom UNION CARBIDE CORPORATION (US) 1988-08-23 US disclosed
US-4758637-A Silicone-modified polyester resin and silicone-sheathed polyester fibers made therefrom UNION CARBIDE CORPORATION (US) 1988-07-19 US disclosed
EP-0269023-A2 Silicone-modified polyester resin and silicone-sheathed polyester fibers made therefrom UNION CARBIDE CORPORATION (US) 1988-06-01 EP disclosed
EP-0214658-A2 Silicone-modified polyester resin and silicone-sheathed polyester fibers made therefrom UNION CARBIDE CORPORATION (US) 1987-03-18 EP disclosed
US-4640962-A Silicone-modified polyester resin and silicone-sheathed polyester fibers made therefrom UNION CARBIDE CORPORATION (US) 1987-02-03 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-20150175650-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF CYP21A2, PGR, CYP17A1 TSHR 1309/4885HPGD 33/4885HTT 4257/4885
US-20160168190-A1 C-20 STEROID COMPOUNDS, COMPOSITIONS AND USES THEREOF TO TREAT TRAUMATIC BRAIN INJURY (TBI), INCLUDING CONCUSSIONS CYP17A1, HSD17B7, FABP7 TSHR 4014/4885HPGD 964/4885HTT 3440/4885

“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.