SCHEMBL1820291

SCHEMBL1820291

C=CCOCOC(CC)CCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
PLA2G2C Q5R387 1/20 0.31
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL1817041 0.86 TSHR (0.41) TSHRADH1BADH1CADH1AADH4
SCHEMBL25125852 0.78 TSHR (0.43) TSHRADH1BADH1CADH1AADH4
SCHEMBL27657804 0.78 TSHR (0.36) TSHRMEN1KMT2ADNM1
SCHEMBL16107215 0.78 TSHR (0.43) TSHRADH1BADH1CADH1AADH4
SCHEMBL14570130 0.76 PRKD3 (0.39) TSHRPLA2G2CMEN1KMT2A
SCHEMBL29287268 0.75 TSHR (0.41) TSHRADH1BADH1CADH1AADH4
SCHEMBL28634941 0.74 TSHR (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL6435200 0.74 LMNA (0.38) TSHRDNM1
SCHEMBL6437435 0.74 LMNA (0.38) TSHRDNM1
SCHEMBL6437566 0.74 LMNA (0.38) TSHRDNM1

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 1779/4885ADH1B 4014/4885ADH1C 2541/4885
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 TSHR 1779/4885ADH1B 4014/4885ADH1C 2541/4885

“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.