SCHEMBL1398342

SCHEMBL1398342

C=CCOc1c2cc(C)cc1Cc1cc(C)cc(c1OCC=C)Cc1cc(C)cc(c1OCC=C)Cc1cc(C)cc(c1OCC=C)Cc1cc(C)cc(c1OCC=C)Cc1cc(C)cc(c1OCC=C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
ELANE P08246 1/20 0.33
CD69 Q07108 1/20 0.33
CXCR5 P32302 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL1473043 0.79 ADRA2A (0.35) HSD17B10LMNASMN1; SMN2ADRA2AADRA2B
SCHEMBL8161008 0.78 POLB (0.39) HSD17B10LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL1473328 0.76 CD69 (0.48) HSD17B10ADRA2AADRA2BADRA2CCD69
SCHEMBL6578128 0.74 LMNA (0.47) HSD17B10LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL13987037 0.72 TLR4 (0.49) ELANECD69TLR4
SCHEMBL9255038 0.72 CYP2D6 (0.43) HSD17B10LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL14424604 0.72 POLB (0.36) HSD17B10LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL3595767 0.71 ALDH1A1 (0.41) LMNASMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL25317242 0.70 ACHE (0.50) HSD17B10LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL5086988 0.70 MAPT (0.47) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466212-B2 Process for preparing dental materials having low polymerization shrinkage IVOCLAR VIVADENT AG (LI) 2013-06-18 US disclosed
EP-1970042-B1 Use of polymerisable Calix[n]arenes as dental materials IVOCLAR VIVADENT AG (LI) 2011-03-02 EP disclosed
US-20100311863-A1 PROCESS FOR PREPARING DENTAL MATERIALS HAVING LOW POLYMERIZATION SHRINKAGE HERAEUS KULZER GMBH (DE) 2010-12-09 US disclosed
EP-1970042-A2 Dental materials with low polymerisation shrinkage Ivoclar Vivadent AG (LI) 2008-09-17 EP disclosed
US-20080058443-A1 Dental materials having low polymerization shrinkage HERAEUS KULZER GMBH (DE) 2008-03-06 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 (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-20080058443-A1 Dental materials having low polymerization shrinkage CALD1, RCC1, ITGA1 HSD17B10 3006/4885LMNA 555/4885SMN1; SMN2 4565/4885
US-20100311863-A1 PROCESS FOR PREPARING DENTAL MATERIALS HAVING LOW POLYMERIZATION SHRINKAGE CALD1, ITGA1, RCC1 HSD17B10 2988/4885LMNA 335/4885SMN1; SMN2 4415/4885

“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.