SCHEMBL1817041

SCHEMBL1817041

C=CCOC(CC)CCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
DNM1 Q05193 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
SMPD1 P17405 3/20 0.32
OPRM1 P35372 1/20 0.31
PLA2G2C Q5R387 1/20 0.31

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
SCHEMBL25125852 0.92 TSHR (0.43) TSHRDNM1ALDH1A1LMNAADH1B
SCHEMBL16107215 0.92 TSHR (0.43) TSHRDNM1ALDH1A1LMNAADH1B
SCHEMBL27657804 0.92 TSHR (0.36) TSHRDNM1ALDH1A1MEN1KMT2A
SCHEMBL29287268 0.89 TSHR (0.41) TSHRDNM1ALDH1A1LMNAADH1B
SCHEMBL28634941 0.88 TSHR (0.39) TSHRDNM1ALDH1A1LMNAMEN1
SCHEMBL1820291 0.86 TSHR (0.37) TSHRDNM1MEN1KMT2AADH1B
SCHEMBL9407355 0.85 LMNA (0.44) TSHRALDH1A1LMNASMPD1
SCHEMBL15978448 0.85 TSHR (0.41) TSHRALDH1A1OPRM1
SCHEMBL13672292 0.84 MEN1 (0.36) TSHRMEN1KMT2A
SCHEMBL9563150 0.83 MEN1 (0.32) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367792-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2013-02-05 US disclosed
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA (JP) 2012-08-16 US disclosed
US-8173758-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2012-05-08 US disclosed
US-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA 2011-07-21 US disclosed
US-7939617-B2 Silsesquioxane derivative; electronic material, optical material, optoelectronic material, paint, and primer. CHISSO CORPORATION (JP) 2011-05-10 US disclosed
US-20080171846-A1 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2008-07-17 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-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 TSHR 1779/4885DNM1 3712/4885ALDH1A1 2302/4885
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 TSHR 1779/4885DNM1 3712/4885ALDH1A1 2302/4885

“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.