SCHEMBL106429

SCHEMBL106429

CCOC(=O)C(C)(C)CC(Br)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.45
MMP8 P22894 2/20 0.43
MDM4 O15151 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MDM2 Q00987 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10005456 0.89 PIN1 (0.41) PIN1MMP8MDM4LMNAMAPT
SCHEMBL19367029 0.87 KMT2A (0.40) MMP8LMNANPSR1SMN1; SMN2MEN1
SCHEMBL17264993 0.85 ATM (0.37) LMNAALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL18382473 0.84 KCNN4 (0.43) LMNAMAPTTSHRALDH1A1KMT2A
SCHEMBL18776199 0.84 ATM (0.36) LMNAALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL9906812 0.84 ATM (0.36) LMNAALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL5961369 0.83 PIN1 (0.46) PIN1MMP8MDM4LMNAMAPT
SCHEMBL12794770 0.83 NPC1 (0.42) LMNATSHRALDH1A1RECQLNPSR1
SCHEMBL106026 0.83 KMT2A (0.37) LMNANPSR1GAASMN1; SMN2MEN1
SCHEMBL19367020 0.83 L3MBTL1 (0.35) TSHRALDH1A1POLBNPSR1SMN1; SMN2

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-9597405-B2 Star polymer nanoshells and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-03-21 US disclosed
US-20150335760-A1 STAR POLYMER NANOSHELLS AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-11-26 US disclosed
US-9156696-B2 Process and method for the efficient preparation of fullerynes THE UNIVERSITY OF AKRON (US) 2015-10-13 US disclosed
US-8945513-B2 Star polymer nanoshells and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-02-03 US disclosed
US-20140370064-A1 FILM-FORMING COMPOSITIONS OF SELF-CROSSLINKABLE NANOGEL STAR POLYMERS GLOBALFOUNDRIES U.S. INC. 2014-12-18 US disclosed
US-8765098-B2 Star polymers, methods of preparation thereof, and uses thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-07-01 US disclosed
US-20130144083-A1 PROCESS AND METHOD FOR THE EFFICIENT PREPARATION OF FULLERYNES THE UNIVERSITY OF AKRON (US) 2013-06-06 US disclosed
US-20120237447-A1 STAR POLYMER NANOSHELLS AND METHODS OF PREPARATION THEREOF SAN JOSE STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-09-20 US disclosed
US-20120059173-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2012-03-08 US disclosed
US-20110243848-A1 STAR POLYMERS, METHODS OF PREPARATION THEREOF, AND USES THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-06 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 (5 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-20110243848-A1 STAR POLYMERS, METHODS OF PREPARATION THEREOF, AND USES THEREOF AS3MT, STARD7, MCM5 PIN1 2300/4885MMP8 4884/4885MDM4 112/4885
US-20120237447-A1 STAR POLYMER NANOSHELLS AND METHODS OF PREPARATION THEREOF VCL, CD47, MSN PIN1 1283/4885MMP8 3657/4885MDM4 1460/4885
US-20140370064-A1 FILM-FORMING COMPOSITIONS OF SELF-CROSSLINKABLE NANOGEL STAR POLYMERS MCL1, CUTA, TUBA3E PIN1 1713/4885MMP8 4308/4885MDM4 1167/4885
US-20120059173-A1 DENDRITIC MOLECULES CD40LG, CD40, TLR3 PIN1 1543/4885MMP8 3213/4885MDM4 2581/4885
US-20150335760-A1 STAR POLYMER NANOSHELLS AND METHODS OF PREPARATION THEREOF VCL, CD47, MSN PIN1 1283/4885MMP8 3657/4885MDM4 1460/4885

“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.