SCHEMBL7777005

SCHEMBL7777005

CCC(C)NC(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL18553316 1.00 TDP1 (0.38) TDP1SMN1; SMN2TSHRALDH1A1TP53
SCHEMBL172379 1.00 TDP1 (0.38) TDP1SMN1; SMN2TSHRALDH1A1TP53
SCHEMBL2464426 0.83 TDP1 (0.50) TDP1SMN1; SMN2TSHRALDH1A1TP53
SCHEMBL22642529 0.83 TSHR (0.32) TDP1SMN1; SMN2TSHRALDH1A1TP53
SCHEMBL8776143 0.82
SCHEMBL9667218 0.82
SCHEMBL9667176 0.82
SCHEMBL172655 0.82
SCHEMBL49756 0.82
SCHEMBL25603259 0.81 ALDH1A1 (0.31) TDP1SMN1; SMN2TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180145073-A1 METAL LAYER ROUTING LEVEL FOR VERTICAL FET SRAM AND LOGIC CELL SCALING GLOBALFOUNDRIES U.S. INC. 2018-05-24 US disclosed
US-20170053737-A1 INTEGRATED RESONATOR-SHIELD STRUCTURES WiTricity AI Tech, LLC 2017-02-23 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-8168627-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2012-05-01 US disclosed
US-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS ENDORECHERCHE, INC. (CA) 2010-09-09 US disclosed
US-7709516-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2010-05-04 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP 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-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS AR, SHBG, CYP17A1 TDP1 4373/4885SMN1; SMN2 4752/4885TSHR 3242/4885

“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.