SCHEMBL16978956

SCHEMBL16978956

CC(C)(C)c1ccc(P(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 2/20 0.57
ESR1 P03372 5/20 0.50
ESR2 Q92731 5/20 0.50
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.42
TYR P14679 1/20 0.42
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSD11B1 P28845 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 3/20 0.38
SRD5A2 P31213 1/20 0.38
KCNK9 Q9NPC2 1/20 0.37
KIF11 P52732 1/20 0.37
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL12090539 1.00 TDP1 (0.57) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL1093877 0.90 TSHR (0.52) TDP1CYP3A4TSHRLMNATYR
Phosphoric Acid SCHEMBL31576074 0.88 ESR1 (0.45) TDP1CYP3A4ESR1ESR2LMNA
SCHEMBL29507318 0.84 TRPV1 (0.46) TDP1CYP3A4ESR1ESR2LMNA
SCHEMBL14422422 0.84 TRPV1 (0.46) TDP1CYP3A4LMNARAB9ANPC1
SCHEMBL2154715 0.82 L3MBTL1 (0.42) TDP1TSHRLMNATYRALDH1A1
SCHEMBL2153480 0.82 TSHR (0.41) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL28521706 0.82 CYP3A4 (0.52) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL4978017 0.82 CYP3A4 (0.52) TDP1CYP3A4ESR1ESR2TSHR
Hydrochloric Acid SCHEMBL8206111 0.82 ESR1 (0.54) TDP1CYP3A4ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896461-B2 Polysilylated organosilane compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-02-20 US disclosed
US-9896461-B2 Polysilylated organosilane compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-02-20 US disclosed
US-20150218192-A1 Polysilylated Organosilane Compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-08-06 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 (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-20150218192-A1 Polysilylated Organosilane Compounds ALG8, UGT1A9, SI TDP1 2224/4885CYP3A4 214/4885ESR1 3657/4885

“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.